C38H37N3O8 Poko Asiyen
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 663,72 | - |
| Dansite (Prevwa) | 1.304±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 8.27±0.10 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
Souri izomerik
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-) 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
InChI kle
NZBGRVLZISPURB-LBFZIJHGSA-N
| Pwopriyete ki disponib |
| Byolojik |
| Pwopriyete ki disponib |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 5250 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 5250 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 5260 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 5260 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 5250 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 5200 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 4720 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2460 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 466 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 96.9 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 16000 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | 5.20 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 9.3 x 10-6 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.3 x 10-6 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-5 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.0 x 10-5 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-4 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.1 x 10-4 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-5 g/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 1.4 x 10-8 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-8 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 x 10-8 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.0 x 10-8 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 x 10-7 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 7.7 x 10-7 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 x 10-8 mol/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwa molekilè | 663,72 | ||
| pKa | 8.27±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.304±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 508.6±3.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 13 | (1) ACD | |
| H Aseptè | 11 | (1) ACD | |
| H Donatè | 3 | (1) ACD | |
| H Sòm donatè/akseptè | 14 | (1) ACD | |
| logP | 5.198±0.644 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 663,72 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 136 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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