ChemSpider 2D Image | (6beta)-6,19-Dihydroxy-3-oxours-12-en-28-oic acid | C30H46O5

(6β)-6,19-Dihydroxy-3-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID28424434

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(6β)-6,19-Dihydroxy-3-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(6β)-6,19-Dihydroxy-3-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (6β)-6,19-dihydroxy-3-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 6,19-dihydroxy-3-oxo-, (6β)- [ACD/Index Name]
[194027-11-7] [RN]
176983-21-4 [RN]
194027-11-7 [RN]
6,19-Dihydroxyurs-12-en-3-oxo-28-oic acid
6β, 19α-dihydroxy-3-oxo-urs-12-en-28-oic acid
MFCD20260655

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 340.9±28.0 °C
Index of Refraction: 1.574
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 633.93
ACD/KOC (pH 5.5): 1721.47
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 10.05
ACD/KOC (pH 7.4): 27.30
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 409.5±5.0 cm3

Click to predict properties on the Chemicalize site


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