Found 1 result

Search term: QHBRUOXPFCBKKZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate) | C49H83O13P

(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate)

  • Molecular FormulaC49H83O13P
  • Average mass911.149 Da
  • Monoisotopic mass910.557129 Da
  • ChemSpider ID113378422

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-(8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoat) [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate) [ACD/IUPAC Name]
(8Z,11Z,14Z,8'Z,11'Z,14'Z)Bis(-8,11,14-icosatriénoate) de (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-1-[[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, (8Z,11Z,14Z,8'Z,11'Z,14'Z)- [ACD/Index Name]
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
PI(20:3/20:3)
PI(40:6)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 912.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.7±6.0 kJ/mol
Flash Point: 505.9±37.1 °C
Index of Refraction: 1.540
Molar Refractivity: 249.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 13.98
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 5691.86
ACD/KOC (pH 5.5): 1791.35
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 4916.77
ACD/KOC (pH 7.4): 1547.42
Polar Surface Area: 219 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 794.7±5.0 cm3

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