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Search term: 117214378 (Found by CSID)
ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate | C37H68O8

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate

  • Molecular FormulaC37H68O8
  • Average mass640.931 Da
  • Monoisotopic mass640.491394 Da
  • ChemSpider ID117214378

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-(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 (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)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: 709.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 203.5±26.4 °C
Index of Refraction: 1.517
Molar Refractivity: 182.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1339013.00
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1339011.50
Polar Surface Area: 134 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 604.6±3.0 cm3

Click to predict properties on the Chemicalize site


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