ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)oxy]propyl}carbamate | C36H62NO9P

(3β)-Cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)oxy]propyl}carbamate

  • Molecular FormulaC36H62NO9P
  • Average mass683.852 Da
  • Monoisotopic mass683.416199 Da
  • ChemSpider ID4450708
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3α,8α,14β,17α)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)oxy]propyl}carbamate
(3β)-Cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)oxy]propyl}carbamate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-{3-[(2-desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)oxy]propyl}carbamat [German] [ACD/IUPAC Name]
{3-[(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)oxy]propyl}carbamate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[3-[(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)oxy]propyl]-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-β-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
HOB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 180.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 67.41
ACD/KOC (pH 5.5): 80.39
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 7.77
ACD/KOC (pH 7.4): 9.26
Polar Surface Area: 154 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 566.8±5.0 cm3

Click to predict properties on the Chemicalize site






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