ChemSpider 2D Image | (3beta,5alpha,6alpha,8xi,9xi,14xi,16xi,17xi,23S,25R)-3,23-Dihydroxyspirostan-6-yl beta-D-allopyranoside | C33H54O10

(3β,5α,6α,8ξ,9ξ,14ξ,16ξ,17ξ,23S,25R)-3,23-Dihydroxyspirostan-6-yl β-D-allopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID4885229
  • defined stereocentres - 14 of 19 defined stereocentres


More details:






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

(3β,5α,6α,8ξ,9ξ,14ξ,16ξ,17ξ,23S,25R)-3,23-Dihydroxyspirostan-6-yl β-D-allopyranoside [ACD/IUPAC Name]
(3β,5α,6α,8ξ,9ξ,14ξ,16ξ,17ξ,23S,25R)-3,23-Dihydroxyspirostan-6-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (3β,5α,6α,8ξ,9ξ,14ξ,16ξ,17ξ,23S,25R)-3,23-dihydroxyspirostan-6-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,5α,6α,8ξ,9ξ,14ξ,16ξ,17ξ,23S,25R)-3,23-dihydroxyspirostan-6-yl [ACD/Index Name]
(25R)-5α-Spirostan-3β,6α,23α-triol-6-O-β-D-glucopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 150.26
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.26
Polar Surface Area: 158 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 454.3±5.0 cm3

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