![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 542.58 | - |
| Teboka mangotraka (voavinavina) | 692,9±65,0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,33±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 12.51±0.60 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1C)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=C(C)C(=O)N3)[H] )[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1 /s1
InChI Key
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Anarana hafa amin'ity akora ity
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′, 3′:4,5]oxazolo [3,2-a]pyrimidine-6-one (ACI)
Spectra misy
1H NMR
13C NMR
-bahoaka
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 2800 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2790 | 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 | 10200 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 5; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 10200 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 10200 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 4.84 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 4.839±0.618 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 3,6 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-4 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 6,6 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,7 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,6 x 10-7 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 542.58 | ||
| pKa | 12.51±0.60 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -4.38±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 3.73 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 | 1,33±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 404.9±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 | |
| H Acceptors | 9 | (1) ACD | |
| H Mpanome | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 4.839±0.618 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 542.58 |
(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 | 692,9±65,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 106,61±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 372,8±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
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