ChemSpider 2D Image | (2alpha,3beta)-2,3-Diacetoxy-23-methoxy-23-oxours-12-en-28-oic acid | C35H52O8

(2α,3β)-2,3-Diacetoxy-23-methoxy-23-oxours-12-en-28-oic acid

  • Molecular FormulaC35H52O8
  • Average mass600.783 Da
  • Monoisotopic mass600.366211 Da
  • ChemSpider ID26607354

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β)-2,3-Diacetoxy-23-methoxy-23-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3-Diacetoxy-23-methoxy-23-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β)-2,3-diacétoxy-23-méthoxy-23-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-ene-23,28-dioic acid, 2,3-bis(acetyloxy)-, 23-methyl ester, (2α,3β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797305/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 189.9±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 84462.40
ACD/KOC (pH 5.5): 63999.93
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 1329.35
ACD/KOC (pH 7.4): 1007.29
Polar Surface Area: 116 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 507.6±5.0 cm3

Click to predict properties on the Chemicalize site


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