ChemSpider 2D Image | eryvarinol B | C30H34O9

eryvarinol B

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID9289363

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2-propanyl 4-hydroxy-3,5-dimethoxybenzoate [ACD/IUPAC Name]
(1S,2R)-1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2-propanyl-4-hydroxy-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-diméthoxybenzoate de (1S,2R)-1-hydroxy-1-(4-hydroxy-2-méthoxyphényl)-3-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, (1R,2S)-2-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]ethyl ester [ACD/Index Name]
eryvarinol B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 243.6±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2121.48
ACD/KOC (pH 5.5): 8365.50
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1768.21
ACD/KOC (pH 7.4): 6972.50
Polar Surface Area: 135 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

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