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Search term: 4446340 (Found by CSID)
ChemSpider 2D Image | 20-demethylacetoxymethyl-clavulone I | C27H36O9

20-demethylacetoxymethyl-clavulone I

  • Molecular FormulaC27H36O9
  • Average mass504.569 Da
  • Monoisotopic mass504.235931 Da
  • ChemSpider ID4446340

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5Z,7E,12α,14Z)-4,12,20-Triacétoxy-9-oxoprosta-5,7,10,14-tétraén-1-oate de méthyle [French] [ACD/IUPAC Name]
20-demethylacetoxymethyl-clavulone I
Methyl (4R,5Z,7E,12α,14Z)-4,12,20-triacetoxy-9-oxoprosta-5,7,10,14-tetraen-1-oate [ACD/IUPAC Name]
Methyl-(4R,5Z,7E,12α,14Z)-4,12,20-triacetoxy-9-oxoprosta-5,7,10,14-tetraen-1-oat [German] [ACD/IUPAC Name]
Prosta-5,7,10,14-tetraen-1-oic acid, 4,12,20-tris(acetyloxy)-9-oxo-, methyl ester, (4R,5Z,7E,12α,14Z)- [ACD/Index Name]
20-acetoxy-clavulone I
methyl 4R,12S,20-triacetoxy-9-oxo-5Z,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]

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

LMFA03120005 [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: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 650.02
ACD/KOC (pH 5.5): 3589.98
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 650.02
ACD/KOC (pH 7.4): 3589.98
Polar Surface Area: 122 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 434.4±5.0 cm3

Click to predict properties on the Chemicalize site


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