ChemSpider 2D Image | (5Z,8xi,9alpha,11alpha,13E,15S)-1-(Dimethylamino)prosta-5,13-diene-9,11,15-triol | C22H41NO3

(5Z,8ξ,9α,11α,13E,15S)-1-(Dimethylamino)prosta-5,13-diene-9,11,15-triol

  • Molecular FormulaC22H41NO3
  • Average mass367.566 Da
  • Monoisotopic mass367.308655 Da
  • ChemSpider ID29342151

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5Z,8ξ,9α,11α,13E,15S)-1-(Dimethylamino)prosta-5,13-dien-9,11,15-triol [German] [ACD/IUPAC Name]
(5Z,8ξ,9α,11α,13E,15S)-1-(Dimethylamino)prosta-5,13-diene-9,11,15-triol [ACD/IUPAC Name]
(5Z,8ξ,9α,11α,13E,15S)-1-(Diméthylamino)prosta-5,13-diène-9,11,15-triol [French] [ACD/IUPAC Name]
67508-09-2 [RN]
Prosta-5,13-diene-9,11,15-triol, 1-(dimethylamino)-, (5Z,8ξ,9α,11α,13E,15S)- [ACD/Index Name]
N,N,-dimethyl-9?,11?,15S-trihydroxy-prosta-5Z,13E-dien-1-amine
N,N,-dimethyl-9α,11α,15S-trihydroxy-prosta-5Z,13E-dien-1-amine
N-Dimethylaminoprostaglandin F2α
Prostaglandin F2? dimethyl amine
Prostaglandin F2α dimethyl amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 218.1±27.4 °C
Index of Refraction: 1.548
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.30
Polar Surface Area: 64 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 353.0±3.0 cm3

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