ChemSpider 2D Image | (7Z,19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22lambda~5~,28lambda~5~-diphosphaoctacos-7-en-19-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C44H76O13P2

(7Z,19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacos-7-en-19-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC44H76O13P2
  • Average mass875.014 Da
  • Monoisotopic mass874.476135 Da
  • ChemSpider ID35032678

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (7Z,19R,25S)-22,25,28,28-tétrahydroxy-16-oxo-22,28-dioxydo-17,21,23,27-tétraoxa-22λ5,28λ5-diphosphaoctacos-7-én-19-yle [French] [ACD/IUPAC Name]
(7Z,19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacos-7-en-19-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(7Z,19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacos-7-en-19-yl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
[(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
1-Palmitoleoyl-2-docosapentaenoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PGP(16:1/22:5)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 877.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.7±37.1 °C
Index of Refraction: 1.513
Molar Refractivity: 234.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 12.09
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 98.08
ACD/KOC (pH 5.5): 46.98
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 18.40
ACD/KOC (pH 7.4): 8.81
Polar Surface Area: 215 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 781.6±3.0 cm3

Click to predict properties on the Chemicalize site


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