ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,16beta,24R)-3,4,6,15,16-Pentahydroxystigmastan-29-yl 4-O-methyl-beta-D-xylopyranoside | C35H62O10

(3β,4β,5α,6α,15β,16β,24R)-3,4,6,15,16-Pentahydroxystigmastan-29-yl 4-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC35H62O10
  • Average mass642.861 Da
  • Monoisotopic mass642.434326 Da
  • ChemSpider ID29213322

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,16β,24R)-3,4,6,15,16-Pentahydroxystigmastan-29-yl 4-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,16β,24R)-3,4,6,15,16-Pentahydroxystigmastan-29-yl-4-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
4-O-Méthyl-β-D-xylopyranoside de (3β,4β,5α,6α,15β,16β,24R)-3,4,6,15,16-pentahydroxystigmastan-29-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6α,15β,16β,24R)-3,4,6,15,16-pentahydroxystigmastan-29-yl 4-O-methyl- [ACD/Index Name]
certonardoside J2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 746.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 169.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.02
ACD/KOC (pH 5.5): 434.53
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.02
ACD/KOC (pH 7.4): 434.53
Polar Surface Area: 169 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 515.5±5.0 cm3

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