ChemSpider 2D Image | (3beta,5alpha,6alpha,23S,25R)-6-{[2,4-Di-O-acetyl-6-deoxy-3-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}spirostan-3,23-diyl diacetate | C53H78O20

(3β,5α,6α,23S,25R)-6-{[2,4-Di-O-acetyl-6-deoxy-3-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}spirostan-3,23-diyl diacetate

  • Molecular FormulaC53H78O20
  • Average mass1035.174 Da
  • Monoisotopic mass1034.508667 Da
  • ChemSpider ID9312008

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,5α,6α,23S,25R)-6-{[2,4-Di-O-acetyl-6-deoxy-3-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}spirostan-3,23-diyl diacetate [ACD/IUPAC Name]
(3β,5α,6α,23S,25R)-6-{[2,4-Di-O-acetyl-6-desoxy-3-O-(2,3,4-tri-O-acetyl-6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}spirostan-3,23-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3β,5α,6α,23S,25R)-6-{[2,4-di-O-acétyl-6-désoxy-3-O-(2,3,4-tri-O-acétyl-6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}spirostan-3,23-diyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,23S,25R)-3,23-bis(acetyloxy)spirostan-6-yl 6-deoxy-3-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-, diacetate [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: 888.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 335.0±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 254.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 208145.27
ACD/KOC (pH 5.5): 223081.00
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 208145.27
ACD/KOC (pH 7.4): 223081.00
Polar Surface Area: 239 Å2
Polarizability: 100.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 804.7±5.0 cm3

Click to predict properties on the Chemicalize site


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