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Search term: ONJBJMDJKLHMEK-MPQUPPDSSA-K (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22lambda~5~,28lambda~5~-diphosphaoctacosan-19-yl palmitate | C38H76O13P2

(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-yl palmitate

  • Molecular FormulaC38H76O13P2
  • Average mass802.950 Da
  • Monoisotopic mass802.476135 Da
  • ChemSpider ID35032653
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-yl palmitate [ACD/IUPAC Name]
(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,21,23,27-tetraoxa-22λ5,28λ5-diphosphaoctacosan-19-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (2R,8S)-5,8,11,11-tétrahydroxy-5,11-dioxydo-2-(palmitoyloxy)-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
(2R,8S)-2-(hexadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxo-4,6,10-trioxa-5λ(5),11λ(5)-diphosphaundecan-1-yl hexadecanoate
(2S)-3-{[(2R)-2,3-bis(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
[(2S)-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
1,2-Dipalmitoyl-rac-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(16:0/16:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 830.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.3±37.1 °C
Index of Refraction: 1.485
Molar Refractivity: 206.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 12.50
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 3560.29
ACD/KOC (pH 5.5): 614.38
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 667.88
ACD/KOC (pH 7.4): 115.25
Polar Surface Area: 215 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 720.9±3.0 cm3

Click to predict properties on the Chemicalize site






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