ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,16beta,24R)-3,4,6,8,15,16-Hexahydroxystigmastan-29-yl 2-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-beta-D-xylopyranoside | C41H72O15

(3β,4β,5α,6α,15β,16β,24R)-3,4,6,8,15,16-Hexahydroxystigmastan-29-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC41H72O15
  • Average mass805.001 Da
  • Monoisotopic mass804.487122 Da
  • ChemSpider ID29214415

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,16β,24R)-3,4,6,8,15,16-Hexahydroxystigmastan-29-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,16β,24R)-3,4,6,8,15,16-Hexahydroxystigmastan-29-yl-2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-(2,4-Di-O-méthyl-β-D-xylopyranosyl)-β-D-xylopyranoside de (3β,4β,5α,6α,15β,16β,24R)-3,4,6,8,15,16-hexahydroxystigmastan-29-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6α,15β,16β,24R)-3,4,6,8,15,16-hexahydroxystigmastan-29-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]
cariniferoside C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 889.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 491.8±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.31
ACD/KOC (pH 5.5): 245.26
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.31
ACD/KOC (pH 7.4): 245.26
Polar Surface Area: 237 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 606.8±5.0 cm3

Click to predict properties on the Chemicalize site


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