ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl [2-(2-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy}ethoxy)ethyl]carbamate | C40H61N5O7

(3β)-Cholest-5-en-3-yl [2-(2-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy}ethoxy)ethyl]carbamate

  • Molecular FormulaC40H61N5O7
  • Average mass723.942 Da
  • Monoisotopic mass723.457092 Da
  • ChemSpider ID117784

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl [2-(2-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy}ethoxy)ethyl]carbamate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-[2-(2-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy}ethoxy)ethyl]carbamat [German] [ACD/IUPAC Name]
[2-(2-{2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]éthoxy}éthoxy)éthyl]carbamate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[2-[2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy]ethoxy]ethyl]-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
80685-24-1 [RN]
Cholest-5-en-3-ol (3β)-, (2-(2-(2-((7-nitro-4-benzofurazanyl)amino)ethoxy)ethoxy)ethyl)carbamate
N(1)-Cholesterylcarbamoyl-N(8)-(4-nitrobenzo-2-oxa-1,3-diazole)-3,6-dioxaoctyl-1,8-diamine
Nbd-chol

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 199.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 11.32
ACD/LogD (pH 5.5): 9.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3365322.25
ACD/LogD (pH 7.4): 9.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3365222.50
Polar Surface Area: 154 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 605.8±5.0 cm3

Click to predict properties on the Chemicalize site


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