Found 1 result

Search term: 4446375 (Found by CSID)
ChemSpider 2D Image | Methyl (5S,6S,7E,10alpha,11beta,14Z,17Z)-5,6-diacetoxy-10-chloro-12-hydroxy-9-oxo-10,11-epoxyprosta-7,14,17-trien-1-oate | C25H33ClO9

Methyl (5S,6S,7E,10α,11β,14Z,17Z)-5,6-diacetoxy-10-chloro-12-hydroxy-9-oxo-10,11-epoxyprosta-7,14,17-trien-1-oate

  • Molecular FormulaC25H33ClO9
  • Average mass512.977 Da
  • Monoisotopic mass512.181335 Da
  • ChemSpider ID4446375

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,6S,7E,10α,11β,14Z,17Z)-5,6-Diacétoxy-10-chloro-12-hydroxy-9-oxo-10,11-époxyprosta-7,14,17-trién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5S,6S,7E,10α,11β,14Z,17Z)-5,6-diacetoxy-10-chloro-12-hydroxy-9-oxo-10,11-epoxyprosta-7,14,17-trien-1-oate [ACD/IUPAC Name]
Methyl-(5S,6S,7E,10α,11β,14Z,17Z)-5,6-diacetoxy-10-chlor-12-hydroxy-9-oxo-10,11-epoxyprosta-7,14,17-trien-1-oat [German] [ACD/IUPAC Name]
Prosta-7,14,17-trien-1-oic acid, 5,6-bis(acetyloxy)-10-chloro-10,11-epoxy-12-hydroxy-9-oxo-, methyl ester, (5S,6S,7E,10α,11β,14Z,17Z)- [ACD/Index Name]
10S,11R-epoxy-punaglandin 3
methyl 5S,6S-diacetoxy-9-oxo-10S-chloro-10S,11R-epoxy-12S-hydroxy-7E,14Z,17Z-prostatrienoate-cyclo[8,12R]
punaglandin 3 epoxide

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

LMFA03120039 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.21
ACD/KOC (pH 5.5): 1246.04
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.18
ACD/KOC (pH 7.4): 1245.72
Polar Surface Area: 129 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

Click to predict properties on the Chemicalize site


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