ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta)-3,4,6,8,15-Pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-beta-D-xylopyranosyl)-beta-D-xylopyranoside | C39H66O14

(3β,4β,5α,6α,15β)-3,4,6,8,15-Pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID441259

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β)-3,4,6,8,15-Pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β)-3,4,6,8,15-Pentahydroxyergost-24(28)-en-26-yl-2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
195062-63-6 [RN]
2-O-(2-O-Méthyl-β-D-xylopyranosyl)-β-D-xylopyranoside de (3β,4β,5α,6α,15β)-3,4,6,8,15-pentahydroxyergost-24(28)-én-26-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6α,15β)-3,4,6,8,15-pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]
(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-((2R)-7-((2R,3R,4S,5R)-3-((2S,3R,4S,5R)-4,5-dihydroxy-3-methoxytetrahydro-2H-pyran-2-yloxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yloxy)-6-methyl-5-methyleneheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,8,15-pentaol
(3β,4β,5α,6α,15β)-3,4,6,8,15-pentahydroxyergost-24(28)-en-27-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside
acodontasteroside G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507203/
β-D-Xylopyranoside, (3β,4β,5 α,6 α,15β)-3,4,6,8,15-pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS168486 [DBID]
AIDS-168486 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 486.2±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 192.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 185.75
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.39
ACD/KOC (pH 7.4): 185.75
Polar Surface Area: 228 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 562.9±5.0 cm3

Click to predict properties on the Chemicalize site


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