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Search term: 29342007 (Found by CSID)
ChemSpider 2D Image | 4-(Benzoylamino)phenyl (5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate | C33H41NO6

4-(Benzoylamino)phenyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC33H41NO6
  • Average mass547.682 Da
  • Monoisotopic mass547.293396 Da
  • ChemSpider ID29342007

  • 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,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dién-1-oate de 4-(benzoylamino)phényle [French] [ACD/IUPAC Name]
4-(Benzoylamino)phenyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
4-(Benzoylamino)phenyl-(5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
57790-53-1 [RN]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, 4-(benzoylamino)phenyl ester, (5Z,11α,13E,15S)- [ACD/Index Name]
(4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
[57790-53-1] [RN]
9-oxo-11?,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid, (4-benzoylamino)phenyl ester
9-OXO-11α,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, (4-BENZOYLAMINO) PHENYL ESTER
9-OXO-11α,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, (4-BENZOYLAMINO) PHENYL ESTER
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1291.73
ACD/KOC (pH 5.5): 5869.16
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.72
ACD/KOC (pH 7.4): 5869.13
Polar Surface Area: 113 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 456.6±3.0 cm3

Click to predict properties on the Chemicalize site


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