ChemSpider 2D Image | (2alpha,3beta)-2,3,24-Trihydroxyurs-12-en-28-oic acid | C30H48O5

(2α,3β)-2,3,24-Trihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID28424360

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β)-2,3,24-Trihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3,24-Trihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β)-2,3,24-trihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,24-trihydroxy-, (2α,3β)- [ACD/Index Name]
(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
[143839-02-5] [RN]
143839-02-5 [RN]
2,24-DIHYDROXYURSOLIC ACID
2??,24-Dihydroxyursolic acid
MFCD17214826

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 336.4±28.0 °C
Index of Refraction: 1.579
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4052.42
ACD/KOC (pH 5.5): 7387.77
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 63.90
ACD/KOC (pH 7.4): 116.49
Polar Surface Area: 98 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

Click to predict properties on the Chemicalize site


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