ChemSpider 2D Image | sinubrasone A | C34H52O8

sinubrasone A

  • Molecular FormulaC34H52O8
  • Average mass588.772 Da
  • Monoisotopic mass588.366211 Da
  • ChemSpider ID62343768

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(22R,25R)-3-Oxo-22-(β-D-xylopyranosyloxy)ergosta-1,4-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Ergosta-1,4-dien-26-oic acid, 3-oxo-22-(β-D-xylopyranosyloxy)-, methyl ester, (22R,25R)- [ACD/Index Name]
Methyl (22R,25R)-3-oxo-22-(β-D-xylopyranosyloxy)ergosta-1,4-dien-26-oate [ACD/IUPAC Name]
Methyl-(22R,25R)-3-oxo-22-(β-D-xylopyranosyloxy)ergosta-1,4-dien-26-oat [German] [ACD/IUPAC Name]
sinubrasone A
(26R)-22R-(β-D-xylopyranosyloxy) methyl 3-oxo-24S-methyl-chola-1,4-diene-26-oate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 213.3±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4334.06
ACD/KOC (pH 5.5): 13959.91
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4334.04
ACD/KOC (pH 7.4): 13959.83
Polar Surface Area: 123 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 487.6±5.0 cm3

Click to predict properties on the Chemicalize site


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