ChemSpider 2D Image | CUCURBITACIN P | C30H48O7

CUCURBITACIN P

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID390404

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-11,22-dion [German] [ACD/IUPAC Name]
(1S,2R,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione [ACD/IUPAC Name]
(1S,2R,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-ène-11,22-dione [French] [ACD/IUPAC Name]
25383-26-0 [RN]
CUCURBITACIN P
Estr-5-en-11-one, 17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2,3,16-trihydroxy-4,4,9,14-tetramethyl-, (2α,3α,9β,10α,16α,17β)- [ACD/Index Name]
19-Norlanost-5-ene-11,22-dione, 2,3,20,25-tetrahydroxy-9-methyl-, (2β,3β,9β,10α)-
19-NORLANOST-5-ENE-11,22-DIONE,2,3,16,20,25-PENTAHYDROXY-9-METHYL-, (2A,3A,9B,10A,16A)-

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

C08804 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 372.0±28.0 °C
Index of Refraction: 1.577
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.10
ACD/KOC (pH 5.5): 540.16
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.10
ACD/KOC (pH 7.4): 540.16
Polar Surface Area: 135 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

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