ChemSpider 2D Image | 2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid | C30H46O7

2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID252579

More details:






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

2,3,19-Trihydroxyurs-12-en-23,28-disäure [German] [ACD/IUPAC Name]
2,3,19-Trihydroxyurs-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide 2,3,19-trihydroxyurs-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-23,28-dioic acid, 2,3,19-trihydroxy- [ACD/Index Name]
2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
53527-49-4 [RN]
Capsularone
Corosin
Trachelosperogenin A
Vismiaefolic acid

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

NSC144943 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 373.0±28.0 °C
Index of Refraction: 1.599
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 10.62
ACD/KOC (pH 5.5): 35.25
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

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