ChemSpider 2D Image | (6Z,9Z,23R,29S)-26,29,32,32-Tetrahydroxy-26,32-dioxido-20-oxo-21,25,27,31-tetraoxa-26lambda~5~,32lambda~5~-diphosphadotriaconta-6,9-dien-23-yl (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate | C46H82O16P2

(6Z,9Z,23R,29S)-26,29,32,32-Tetrahydroxy-26,32-dioxido-20-oxo-21,25,27,31-tetraoxa-26λ5,32λ5-diphosphadotriaconta-6,9-dien-23-yl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate

  • Molecular FormulaC46H82O16P2
  • Average mass953.081 Da
  • Monoisotopic mass952.507813 Da
  • ChemSpider ID128428258

  • 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

(11α,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-én-1-oate de (6Z,9Z,23R,29S)-26,29,32,32-tétrahydroxy-20-oxo-26,32-dioxydo-21,25,27,31-tétraoxa-26λ5,32λ5-diphosphadotriaconta-6,9-dién-23 -yle [French] [ACD/IUPAC Name]
(6Z,9Z,23R,29S)-26,29,32,32-Tetrahydroxy-26,32-dioxido-20-oxo-21,25,27,31-tetraoxa-26λ5,32λ5-diphosphadotriaconta-6,9-dien-23-yl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(6Z,9Z,23R,29S)-26,29,32,32-Tetrahydroxy-26,32-dioxido-20-oxo-21,25,27,31-tetraoxa-26λ5,32λ5-diphosphadotriaconta-6,9-dien-23-yl-(11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester, (11α,13E, 15S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 964.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.3±6.0 kJ/mol
Flash Point: 537.3±37.1 °C
Index of Refraction: 1.529
Molar Refractivity: 246.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 97.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 800.1±3.0 cm3

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