ChemSpider 2D Image | (3beta,5xi)-3-Hydroxyurs-12-ene-27,28-dioic acid | C30H46O5

(3β,5ξ)-3-Hydroxyurs-12-ene-27,28-dioic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID30647257

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5ξ)-3-Hydroxyurs-12-en-27,28-disäure [German] [ACD/IUPAC Name]
(3β,5ξ)-3-Hydroxyurs-12-ene-27,28-dioic acid [ACD/IUPAC Name]
Acide (3β,5ξ)-3-hydroxyurs-12-ène-27,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-27,28-dioic acid, 3-hydroxy-, (3β,5ξ)- [ACD/Index Name]
465-74-7 [RN]
quinovic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 343.9±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: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 1277.30
ACD/KOC (pH 5.5): 1449.85
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 3.38
ACD/KOC (pH 7.4): 3.83
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

Click to predict properties on the Chemicalize site


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