ChemSpider 2D Image | (3beta,6beta)-3,6,19,23-Tetrahydroxyurs-12-en-28-oic acid | C30H48O6

(3β,6β)-3,6,19,23-Tetrahydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID28424475
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3β,6β)-3,6,19,23-Tetrahydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β,6β)-3,6,19,23-Tetrahydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,6β)-3,6,19,23-tétrahydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,6,19,23-tetrahydroxy-, (3β,6β)- [ACD/Index Name]
[91095-51-1] [RN]
3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid
91095-51-1 [RN]
MFCD20260723

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 364.1±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 139.02
ACD/KOC (pH 5.5): 577.82
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 9.17
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

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