ChemSpider 2D Image | (2alpha,3beta,5alpha,6beta,16xi,17xi,24S,25S)-3,5,6,24-Tetrahydroxyspirostan-2-yl beta-D-glucopyranoside | C33H54O12

(2α,3β,5α,6β,16ξ,17ξ,24S,25S)-3,5,6,24-Tetrahydroxyspirostan-2-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID8524656
  • defined stereocentres - 18 of 20 defined stereocentres


More details:






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

(2α,3β,5α,6β,16ξ,17ξ,24S,25S)-3,5,6,24-Tetrahydroxyspirostan-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2α,3β,5α,6β,16ξ,17ξ,24S,25S)-3,5,6,24-Tetrahydroxyspirostan-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2α,3β,5α,6β,16ξ,17ξ,24S,25S)-3,5,6,24-tétrahydroxyspirostan-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2α,3β,5α,6β,16ξ,17ξ,24S,25S)-3,5,6,24-tetrahydroxyspirostan-2-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.07
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.07
Polar Surface Area: 199 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 449.1±5.0 cm3

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