ChemSpider 2D Image | (3beta,5alpha,16xi,17xi,22R,25R)-22,26-Dihydroxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C39H66O14

(3β,5α,16ξ,17ξ,22R,25R)-22,26-Dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID8525622

  • defined stereocentres - 20 of 22 defined stereocentres

More details:

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

(3β,5α,16ξ,17ξ,22R,25R)-22,26-Dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5α,16ξ,17ξ,22R,25R)-22,26-Dihydroxyfurostan-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,5α,16ξ,17ξ,22R,25R)-22,26-dihydroxyfurostan-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5α,16ξ,17ξ,22β,25R)-22,26-dihydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl- [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: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 495.9±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 190.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 118.57
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.55
ACD/KOC (pH 7.4): 118.57
Polar Surface Area: 228 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 549.6±5.0 cm3

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