ChemSpider 2D Image | (3beta,5beta,14beta,20R)-14-Hydroxy-20-nitropregnan-3-yl 6-deoxy-beta-L-mannopyranoside | C27H45NO8

(3β,5β,14β,20R)-14-Hydroxy-20-nitropregnan-3-yl 6-deoxy-β-L-mannopyranoside

  • Molecular FormulaC27H45NO8
  • Average mass511.648 Da
  • Monoisotopic mass511.314514 Da
  • ChemSpider ID8227664

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,14β,20R)-14-Hydroxy-20-nitropregnan-3-yl 6-deoxy-β-L-mannopyranoside [ACD/IUPAC Name]
(3β,5β,14β,20R)-14-Hydroxy-20-nitropregnan-3-yl-6-desoxy-β-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranoside de (3β,5β,14β,20R)-14-hydroxy-20-nitroprégnan-3-yle [French] [ACD/IUPAC Name]
β-L-Mannopyranoside, (3β,5β,14β,20R)-14-hydroxy-20-nitropregnan-3-yl 6-deoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.14
ACD/KOC (pH 5.5): 1226.23
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 113.85
ACD/KOC (pH 7.4): 961.90
Polar Surface Area: 145 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 397.5±5.0 cm3

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