ChemSpider 2D Image | (3beta,5alpha,25R)-Spirostan-3-yl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-alpha-D-glucopyranoside | C53H78O20

(3β,5α,25R)-Spirostan-3-yl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-D-glucopyranoside

  • Molecular FormulaC53H78O20
  • Average mass1035.174 Da
  • Monoisotopic mass1034.508667 Da
  • ChemSpider ID74038420

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5α,25R)-Spirostan-3-yl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,25R)-Spirostan-3-yl-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tri-O-acétyl-4-O-(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)-α-D-glucopyranoside de (3β,5α,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (3β,5α,25R)-spirostan-3-yl 4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 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: 901.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 340.0±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 254.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 539404.44
ACD/KOC (pH 5.5): 441037.94
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 539404.44
ACD/KOC (pH 7.4): 441037.94
Polar Surface Area: 239 Å2
Polarizability: 100.8±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 803.5±5.0 cm3

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