ChemSpider 2D Image | (21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24lambda~5~,30lambda~5~-diphosphatriacontan-21-yl stearate | C42H84O13P2

(21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacontan-21-yl stearate

  • Molecular FormulaC42H84O13P2
  • Average mass859.056 Da
  • Monoisotopic mass858.538696 Da
  • ChemSpider ID35032682

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacontan-21-yl stearate [ACD/IUPAC Name]
(21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,23,25,29-tetraoxa-24λ5,30λ5-diphosphatriacontan-21-ylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R,8S)-5,8,11,11-tétrahydroxy-5,11-dioxydo-2-(stearoyloxy)-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
(2S)-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
1,2-Distearoyl-rac-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(18:0/18:0)
PGP(36:0)

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: 862.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.4±37.1 °C
Index of Refraction: 1.484
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 3
ACD/LogP: 14.62
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 60706.48
ACD/KOC (pH 5.5): 4678.50
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 11388.04
ACD/KOC (pH 7.4): 877.65
Polar Surface Area: 215 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 786.9±3.0 cm3

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