ChemSpider 2D Image | (3beta,5alpha,6alpha,25R)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}spirostan-6-yl acetate | C47H76O18

(3β,5α,6α,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}spirostan-6-yl acetate

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID9962553

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(3β,5α,6α,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}spirostan-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6α,25R)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}spirostan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6α,25R)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}spirostan-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,25R)-6-(acetyloxy)spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 228.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1859.95
ACD/KOC (pH 5.5): 7619.16
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1859.93
ACD/KOC (pH 7.4): 7619.04
Polar Surface Area: 262 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 666.3±5.0 cm3

Click to predict properties on the Chemicalize site


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