ChemSpider 2D Image | (3beta,5beta,25R)-Spirostan-3-yl 2-O-(6-deoxy-beta-D-idopyranosyl)-alpha-L-gulopyranoside | C39H64O12

(3β,5β,25R)-Spirostan-3-yl 2-O-(6-deoxy-β-D-idopyranosyl)-α-L-gulopyranoside

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID31128125

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5β,25R)-Spirostan-3-yl 2-O-(6-deoxy-β-D-idopyranosyl)-α-L-gulopyranoside [ACD/IUPAC Name]
(3β,5β,25R)-Spirostan-3-yl-2-O-(6-desoxy-β-D-idopyranosyl)-α-L-gulopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-β-D-idopyranosyl)-α-L-gulopyranoside de (3β,5β,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
α-L-Gulopyranoside, (3β,5β,25R)-spirostan-3-yl 2-O-(6-deoxy-β-D-idopyranosyl)- [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: 829.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.2±6.0 kJ/mol
Flash Point: 455.4±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9656.92
ACD/KOC (pH 5.5): 24770.63
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9656.82
ACD/KOC (pH 7.4): 24770.36
Polar Surface Area: 177 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 545.2±5.0 cm3

Click to predict properties on the Chemicalize site


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