ChemSpider 2D Image | (2S)-3-[(Hydroxy{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl diformate | C11H19O13P

(2S)-3-[(Hydroxy{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl diformate

  • Molecular FormulaC11H19O13P
  • Average mass390.234 Da
  • Monoisotopic mass390.056335 Da
  • ChemSpider ID35016027

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2S)-3-[(Hydroxy{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyldiformiat [German] [ACD/IUPAC Name]
(2S)-3-[(Hydroxy{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl diformate [ACD/IUPAC Name]
Diformiate de (2S)-3-[(hydroxy{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S)-2,3-bis(formyloxy)propyl (2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl ester [ACD/Index Name]
(3-Phosphatidyl)-1-D-inositol
1,2-Diacyl-sn-glycero-3-phosphoinositol
1-Phosphatidyl-1D-myo-inositol
1-Phosphatidyl-D-myo-inositol
1-Phosphatidyl-myo-inositol
2,3-bis(formyloxy)propoxy[(2R,3S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 604.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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