C31h30N2O7 I-6h-Furo [2 ', 3': i-6,3-i-6-2-I-3-Te'rahydro-Tthyl-, (2R, 3R, 3a, i-9) - (9CI, AIC)
| Iipropathi eziphambili | Ixabiso | Imeko |
| Ubunzima bemolekyuli | I-542.58 | - |
| Inqaku lokubilisa (eliqikelelweyo) | I-692.9 ± 65.0 ° C | Cinezela: 760 Torr |
| Ukuxinana (kuxelwe kwangaphambili) | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Cinezela: 760 Torr |
| pka (ubungqina) | 12.51 ± 0.60 | Uninzi lwe-acidic temp: 25 ° C |
I-Canonical smonis o = c1n = c2c3c (o) c) c :c3c = cc = c
I-Ismomeric smosion C (OC [c @ h] 1o [c @] 2) (c5 = c) c (c5) C (c5) CC = C.
Intshi
I-Inchi = 1s / c31h30n2HO0N2O7 / C1-1733-20-4-10 (33-24) 14-16-23 (36-23 (36-23 (36-23 (36-23
) 22-11-15 (37-16) 16-17,25-27,34h, 183h3: 27 +
Isitshixo se-Inchi
Bqeqcezlliksh-cithkvlsa-n
1 elinye igama le nto
. (AII)
I-Spectra ifumaneka
I-1h nur
I-13c nur
Ubunzima
| Iipropathi ezikhoyo |
| Ibhayimu |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumene |
| I-thermal |
Ibhayimu
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Into yebhayiloji | Ngama-2800 | pl 1; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | pl 2; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | pH 3; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | pH 4; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | Ph 5; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | ph 6; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | Ph 7; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | pH 8; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | Ngama-2800 | PH 9; Temp: 25 ° C | (1) I-ACD |
| Into yebhayiloji | 2790 | Ph 10; Temp: 25 ° C | (1) I-ACD |
.
Ikhemikhali
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Koc | I-10200 | pl 1; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | pl 2; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | pH 3; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | pH 4; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | Ph 5; Temp: 25 ° C | (1) I-ACD |
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Koc | I-10200 | ph 6; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | Ph 7; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | pH 8; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | PH 9; Temp: 25 ° C | (1) I-ACD |
| Koc | I-10200 | Ph 10; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | pl 1; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | pl 2; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | pH 3; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | pH 4; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | Ph 5; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | ph 6; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | Ph 7; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | pH 8; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | PH 9; Temp: 25 ° C | (1) I-ACD |
| Ngena | 4.84 | Ph 10; Temp: 25 ° C | (1) I-ACD |
| I-LOGP | 4.839 ± 0.618 | Temp: 25 ° C | (1) I-ACD |
| I-Mass Intrinsic Solince | I-3.6 x 10-4 g / l | Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | pl 1; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | pl 2; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | Ph 5; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | ph 6; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | Ph 7; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | Ph 10; Temp: 25 ° C | (1) I-ACD |
| I-Mass Solity | I-3.6 x 10-4 g / l | AMANZI AMANZI AMANZI PH (7.00; Temp: 25 ° C | (1) I-ACD |
| I-Molar Intrinsic Solin | 6.6 X 10-7 Mol / L | Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | pl 1; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | pl 2; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | pH 3; Temp: 25 ° C | (1) I-ACD |
| Ipropathi | Ixabiso | Imeko | Umthombo |
| I-Molar Solity | 6.6 X 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | Ph 5; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | ph 6; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | Ph 7; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | PH 9; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.7 X 10-7 Mol / L | Ph 10; Temp: 25 ° C | (1) I-ACD |
| I-Molar Solity | 6.6 X 10-7 Mol / L | AMANZI AMANZI AMANZI PH (7.00; Temp: 25 ° C | (1) I-ACD |
| Ubunzima bemolekyuli | I-542.58 | ||
| pka | 12.51 ± 0.60 | Uninzi lwe-acidic temp: 25 ° C | (1) I-ACD |
| pka | -4.38 ± 0.60 | Uninzi lwe-temp olusisiseko: i-25 ° C | (1) I-ACD |
| Uxinzelelo lwe-vapor | 3.73 x 10-20 Torr | Temp: 25 ° C | (1) I-ACD |
.
Ukuxinana
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Cinezela: 760 Torr | (1) I-ACD |
| Umthamo we-mola | 404.9 ± I-7 ± cm3 / mol | Temp: 20 ° C; Cinezela: 760 Torr | (1) I-ACD |
.
Lipinski
| Ipropathi | Ixabiso | Imeko | Umthombo |
| I-Bonds ejikelezayo | 9 | (1) I-ACD | |
| I-H Acceptors | 9 | (1) I-ACD | |
| H abanikeli | 1 | (1) I-ACD | |
| H umxhasi / i-acceptor sum | 10 | (1) I-ACD | |
| I-LOGP | 4.839 ± 0.618 | Temp: 25 ° C | (1) I-ACD |
| Ubunzima bemolekyuli | I-542.58 |
.
Ulwakhiwo olunxulumene
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Indawo yendawo yokuhlala | 99.1 A2 | (1) I-ACD | |
.
I-thermal
| Ipropathi | Ixabiso | Imeko | Umthombo |
| Indawo yokubila | I-692.9 ± 65.0 ° C | Cinezela: 760 Torr | (1) I-ACD |
| I-AntHALPY YABASEBENZI | I-106.61 ± 3.0 kj / mol | Cinezela: 760 Torr | (1) I-ACD |
| Indawo yokuflasha | 372.8 ± 34.3 ° C | (1) I-ACD |
.
I-Spectra ifumaneka
I-1h nur
I-13c nur
Bhala umyalezo apha kwaye uthumele kuthi
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