ChemSpider 2D Image | Methyl (9alpha,11alpha,13E)-11,16-dihydroxy-5-iodo-16-vinyl-6,9-epoxyprost-13-en-1-oate | C23H37IO5

Methyl (9α,11α,13E)-11,16-dihydroxy-5-iodo-16-vinyl-6,9-epoxyprost-13-en-1-oate

  • Molecular FormulaC23H37IO5
  • Average mass520.441 Da
  • Monoisotopic mass520.168579 Da
  • ChemSpider ID20143914
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres


More details:






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

(9α,11α,13E)-11,16-Dihydroxy-5-iodo-16-vinyl-6,9-époxyprost-13-én-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (9α,11α,13E)-11,16-dihydroxy-5-iodo-16-vinyl-6,9-epoxyprost-13-en-1-oate [ACD/IUPAC Name]
Methyl-(9α,11α,13E)-11,16-dihydroxy-5-iod-16-vinyl-6,9-epoxyprost-13-en-1-oat [German] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 6,9-epoxy-16-ethenyl-11,16-dihydroxy-5-iodo-, methyl ester, (9α,11α,13E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 555.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 786.14
ACD/KOC (pH 5.5): 4113.40
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 786.14
ACD/KOC (pH 7.4): 4113.40
Polar Surface Area: 76 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

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