ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,24R)-3,4,6,8,15-Pentahydroxystigmastan-29-yl 2-O-beta-D-xylopyranosyl-beta-D-xylopyranoside | C39H68O14

(3β,4β,5α,6α,15β,24R)-3,4,6,8,15-Pentahydroxystigmastan-29-yl 2-O-β-D-xylopyranosyl-β-D-xylopyranoside

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID23327012

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,24R)-3,4,6,8,15-Pentahydroxystigmastan-29-yl 2-O-β-D-xylopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,24R)-3,4,6,8,15-Pentahydroxystigmastan-29-yl-2-O-β-D-xylopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Xylopyranosyl-β-D-xylopyranoside de (3β,4β,5α,6α,15β,24R)-3,4,6,8,15-pentahydroxystigmastan-29-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6α,15β,24R)-3,4,6,8,15-pentahydroxystigmastan-29-yl 2-O-β-D-xylopyranosyl- [ACD/Index Name]
acodontasteroside D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508706/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 885.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.2±6.0 kJ/mol
Flash Point: 489.3±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 192.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.73
ACD/KOC (pH 5.5): 190.14
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.73
ACD/KOC (pH 7.4): 190.13
Polar Surface Area: 239 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 559.7±5.0 cm3

Click to predict properties on the Chemicalize site


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