ChemSpider 2D Image | (3beta,5alpha,15beta)-15-Hydroxy-4-methylene-3-[(4-O-methyl-alpha-L-glucopyranosyl)oxy]ergosta-8,24(28)-diene-14-carboxylic acid | C37H58O9

(3β,5α,15β)-15-Hydroxy-4-methylene-3-[(4-O-methyl-α-L-glucopyranosyl)oxy]ergosta-8,24(28)-diene-14-carboxylic acid

  • Molecular FormulaC37H58O9
  • Average mass646.851 Da
  • Monoisotopic mass646.408081 Da
  • ChemSpider ID424287

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,15β)-15-Hydroxy-4-methylen-3-[(4-O-methyl-α-L-glucopyranosyl)oxy]ergosta-8,24(28)-dien-14-carbonsäure [German] [ACD/IUPAC Name]
(3β,5α,15β)-15-Hydroxy-4-methylene-3-[(4-O-methyl-α-L-glucopyranosyl)oxy]ergosta-8,24(28)-diene-14-carboxylic acid [ACD/IUPAC Name]
Acide (3β,5α,15β)-15-hydroxy-4-méthylène-3-[(4-O-méthyl-α-L-glucopyranosyl)oxy]ergosta-8,24(28)-diène-14-carboxylique [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-diene-14-carboxylic acid, 15-hydroxy-4-methylene-3-[(4-O-methyl-α-L-glucopyranosyl)oxy]-, (3β,5α,15β)- [ACD/Index Name]
Ascosteroside

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

AIDS105349 [DBID]
AIDS-105349 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 231.2±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 548.32
ACD/KOC (pH 5.5): 1307.22
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 9.41
ACD/KOC (pH 7.4): 22.43
Polar Surface Area: 146 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 529.9±5.0 cm3

Click to predict properties on the Chemicalize site


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