![C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 528.55 | - |
| Teboka fandrehitra (andrana) | 129.5-130 °C | - |
| Teboka mangotraka (voavinavina) | 688.2±65.0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,35±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 12.51±0.40 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
SMILES Isomerik C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Anarana hafa ho an'ity akora ity
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5] oxazolo [3,2-a] pyrimidine-6-one (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Properties misy |
| mafana |
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka fandoroana | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Acids Nucleic, (2016), 35(8), 410-425, CAplus
| Spectra misy |
| 1H NMR |
| 13C NMR |
| IR |
| -bahoaka |
Properties vinavinaina
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1360 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 7; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1360 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1350 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 6080 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 6080 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 6070 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 6060 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 4.42 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 5,8 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mass Solubility | 5,8 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-4 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,1 x 10-6 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-6 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 528.55 | ||
| pKa | 12.51±0.40 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 6.91 x 10-20 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,35±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 389.8±7.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 9 | (1) ACD | |
| NY FANANANA | sarobidy | toe-javatra | Source |
| H Acceptors | 9 | (1) ACD | |
| H Mpanome | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 4.424±0.618 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 528.55 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 99.1 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 688.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 105,96±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 370.0±34.3 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidita] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)