ChemSpider 2D Image | 4-[(E)-(Carbamoylhydrazono)methyl]phenyl (5Z,11alpha,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oate | C30H43N3O6

4-[(E)-(Carbamoylhydrazono)methyl]phenyl (5Z,11α,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID7842645

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,11α,13E,15R)-11,15-Dihydroxy-16,16-diméthyl-9-oxoprosta-5,13-dién-1-oate de 4-[(E)-(carbamoylhydrazono)méthyl]phényle [French] [ACD/IUPAC Name]
4-[(E)-(Carbamoylhydrazono)methyl]phenyl (5Z,11α,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
4-[(E)-(Carbamoylhydrazono)methyl]phenyl-(5Z,11α,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, 4-[(E)-[2-(aminocarbonyl)hydrazinylidene]methyl]phenyl ester, (5Z,11α,13E,15R)- [ACD/Index Name]
(5Z,11α,13E,15R)-4-(((Aminocarbonyl)hydrazono)methyl)phenyl 11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-oate
16,16-Dimethyprostaglandin E2 4-benzaldehyde semicarbazone ester
4-[(1E)-[(CARBAMOYLAMINO)IMINO]METHYL]PHENYL (5Z)-7-[(1R,2R,3R)-3-HYDROXY-2-[(1E,3R)-3-HYDROXY-4,4-DIMETHYLOCT-1-EN-1-YL]-5-OXOCYCLOPENTYL]HEPT-5-ENOATE
62845-71-0 [RN]
Dimethyl-PGE2-pbase
Prosta-5,13-dien-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, 4-(((aminocarbonyl)hydrazono)methyl)phenyl ester, (5Z,11α,13E,15R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.24
ACD/KOC (pH 5.5): 1697.22
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.18
ACD/KOC (pH 7.4): 1696.80
Polar Surface Area: 151 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 459.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement