ChemSpider 2D Image | (4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyethoxy)benzyl]-1,3-diazepan-2-one | C37H42N2O7

(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyethoxy)benzyl]-1,3-diazepan-2-one

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID412553

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyethoxy)benzyl]-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyethoxy)benzyl]-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis[4-(2-hydroxyéthoxy)benzyl]-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis[[4-(2-hydroxyethoxy)phenyl]methyl]-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis-[4-(2-hydroxy-ethoxy)-benzyl]-[1,3]diazepan-2-one
CHEMBL166604

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS060237 [DBID]
AIDS-060237 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 840.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.2±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1314.28
ACD/KOC (pH 5.5): 5942.30
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1314.28
ACD/KOC (pH 7.4): 5942.30
Polar Surface Area: 123 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 486.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement