ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (9Z,9'Z)bis(-9-hexadecenoate) | C41H75O13P

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (9Z,9'Z)bis(-9-hexadecenoate)

  • Molecular FormulaC41H75O13P
  • Average mass807.000 Da
  • Monoisotopic mass806.494507 Da
  • ChemSpider ID24767683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-(9Z,9'Z)bis(-9-hexadecenoat) [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (9Z,9'Z)bis(-9-hexadecenoate) [ACD/IUPAC Name]
(9Z,9'Z)Bis(-9-hexadécénoate) de (2R)-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[hydroxy[[(1α,3α)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid
1,2-Di(9Z-hexadecenoyl)-rac-glycero-3-phospho-(1'-myo-inositol)
1,2-Dipalmitoleoyl-rac-glycero-3-phosphoinositol
Phosphatidylinositol(16:1/16:1)
Phosphatidylinositol(16:1n7/16:1n7)
Phosphatidylinositol(16:1w7/16:1w7)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 841.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.1±6.0 kJ/mol
Flash Point: 462.6±37.1 °C
Index of Refraction: 1.525
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 12.12
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 1088.06
ACD/KOC (pH 5.5): 548.05
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 939.89
ACD/KOC (pH 7.4): 473.41
Polar Surface Area: 219 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 693.6±5.0 cm3

Click to predict properties on the Chemicalize site


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