ChemSpider 2D Image | (3alpha,22alpha)-3,22-Dihydroxyurs-12-en-30-oic acid | C30H48O4

(3α,22α)-3,22-Dihydroxyurs-12-en-30-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID24702598

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,22α)-3,22-Dihydroxyurs-12-en-30-oic acid [ACD/IUPAC Name]
(3α,22α)-3,22-Dihydroxyurs-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (3α,22α)-3,22-dihydroxyurs-12-én-30-oïque [French] [ACD/IUPAC Name]
Urs-12-en-30-oic acid, 3,22-dihydroxy-, (3α,22α)- [ACD/Index Name]
[190906-61-7] [RN]
190906-61-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485459/
MFCD20274949
TRIPTOCALLIC ACID A

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 587.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±6.0 kJ/mol
    Flash Point: 323.2±26.6 °C
    Index of Refraction: 1.567
    Molar Refractivity: 135.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 7.27
    ACD/LogD (pH 5.5): 6.12
    ACD/BCF (pH 5.5): 16105.48
    ACD/KOC (pH 5.5): 19750.41
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 253.79
    ACD/KOC (pH 7.4): 311.23
    Polar Surface Area: 78 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 413.6±5.0 cm3

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