ChemSpider 2D Image | (3beta,5beta,14beta,20R)-14-Hydroxy-20-nitropregnan-3-yl 2,3,4-tri-O-acetyl-6-deoxy-beta-L-mannopyranoside | C33H51NO11

(3β,5β,14β,20R)-14-Hydroxy-20-nitropregnan-3-yl 2,3,4-tri-O-acetyl-6-deoxy-β-L-mannopyranoside

  • Molecular FormulaC33H51NO11
  • Average mass637.758 Da
  • Monoisotopic mass637.346191 Da
  • ChemSpider ID8184872

  • 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 2,3,4-tri-O-acetyl-6-deoxy-β-L-mannopyranoside [ACD/IUPAC Name]
(3β,5β,14β,20R)-14-Hydroxy-20-nitropregnan-3-yl-2,3,4-tri-O-acetyl-6-desoxy-β-L-mannopyranosid [German] [ACD/IUPAC Name]
2,3,4-Tri-O-acétyl-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-, 2,3,4-triacetate [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: 670.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4493.66
ACD/KOC (pH 5.5): 14311.67
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3524.98
ACD/KOC (pH 7.4): 11226.57
Polar Surface Area: 163 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 510.2±5.0 cm3

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