C42H39N3O8 Tsy mbola voatendry
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 713.78 | - |
| Density (voavinavina) | 1,315±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 8.23±0.10 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC )C=C6)C7=CC=C(OC)C=C7)C(O)C4
SMILES Isomerika
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5) -13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43-24-28-11-8-10-27-9-6-7-14-34(27)28/ h3-22,25,36-38,46H,23-24,26H2,1-2H3,(H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChI Key
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Properties misy |
| niteraka |
| Properties misy |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 41700 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 41700 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 41700 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 41700 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 41700 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 41200 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 36900 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 18100 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 3290 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 718 | 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 | 70600 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 70600 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 70600 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 70600 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 70500 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 69700 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 62400 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 30600 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 5560 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 1210 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 6.38 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 6.38 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 6.38 | pH 3; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logD | 6.38 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 6.38 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 6.38 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 6.02 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 5.28 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 4.62 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 6.382±0.644 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 5,1 x 10-7 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,1 x 10-7 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,7 x 10-7 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,1 x 10-6 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 6,4 x 10-6 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,9 x 10-5 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,7 x 10-7 g/L | Rano tsy voaaro pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 7,1 x 10-10 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,1 x 10-10 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,1 x 10-10 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,1 x 10-10 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,1 x 10-10 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,1 x 10-10 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,2 x 10-10 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 8,0 x 10-10 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-9 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 9,0 x 10-9 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,1 x 10-8 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 8,0 x 10-10 mol/L | Rano tsy voaaro pH 7.00; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Lanja molekiola | 713.78 | ||
| pKa | 8.23±0.10 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -1.90±0.20 | Ny mari-pana fototra indrindra: 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 | 1,315±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 542.7±3.0 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 | 13 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H Mpanome | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 6.382±0.644 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 713.78 |
(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 | 136 A2 | (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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![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
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![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
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