ChemSpider 2D Image | (21R,27S)-24,27,28-Trihydroxy-2-methyl-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate | C45H85O13P

(21R,27S)-24,27,28-Trihydroxy-2-methyl-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate

  • Molecular FormulaC45H85O13P
  • Average mass865.122 Da
  • Monoisotopic mass864.572754 Da
  • ChemSpider ID128427992

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(21R,27S)-24,27,28-Trihydroxy-2-methyl-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-2-methyl-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxyprost-13-én-1-oate de (21R,27S)-24,27,28-trihydroxy-2-méthyl-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(17-methyl-1-oxooctadecyl)oxy]methyl]ethyl ester, (9α,11α,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 890.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.0±6.0 kJ/mol
Flash Point: 492.4±37.1 °C
Index of Refraction: 1.519
Molar Refractivity: 233.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 104.68
ACD/KOC (pH 5.5): 103.19
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 88.53
ACD/KOC (pH 7.4): 87.27
Polar Surface Area: 219 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 769.2±3.0 cm3

Click to predict properties on the Chemicalize site


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