ChemSpider 2D Image | (3beta,5beta,14beta,23R)-14-Hydroxy-21-oxo-21,23-epoxychol-20(22)-en-3-yl 3-amino-2,3,6-trideoxy-beta-D-ribo-hexopyranoside | C30H47NO6

(3β,5β,14β,23R)-14-Hydroxy-21-oxo-21,23-epoxychol-20(22)-en-3-yl 3-amino-2,3,6-trideoxy-β-D-ribo-hexopyranoside

  • Molecular FormulaC30H47NO6
  • Average mass517.697 Da
  • Monoisotopic mass517.340332 Da
  • ChemSpider ID8681483

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β,14β,23R)-14-Hydroxy-21-oxo-21,23-epoxychol-20(22)-en-3-yl 3-amino-2,3,6-trideoxy-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
(3β,5β,14β,23R)-14-Hydroxy-21-oxo-21,23-epoxychol-20(22)-en-3-yl-3-amino-2,3,6-tridesoxy-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-β-D-ribo-hexopyranoside de (3β,5β,14β,23R)-14-hydroxy-21-oxo-21,23-époxychol-20(22)-én-3-yle [French] [ACD/IUPAC Name]
Chol-20(22)-en-21-one, 3-[(3-amino-2,3,6-trideoxy-β-D-ribo-hexopyranosyl)oxy]-21,23-epoxy-14-hydroxy-, (3β,5β,14β,23R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±6.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 40.77
Polar Surface Area: 111 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


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