Found 1 result

Search term: 113377499 (Found by CSID)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-nonadecenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C47H83O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-nonadecenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC47H83O10P
  • Average mass839.130 Da
  • Monoisotopic mass838.572388 Da
  • ChemSpider ID113377499

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-nonadecenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-nonadecenoyloxy]propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-nonadecenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-nonadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z-nonadecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(19:1_22:4)
PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))
PG(41:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 836.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 459.9±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 238.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.90
ACD/LogD (pH 5.5): 9.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 103649.98
ACD/LogD (pH 7.4): 9.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 87661.06
Polar Surface Area: 159 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 809.5±3.0 cm3

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