ChemSpider 2D Image | (2R)-2-{[(Hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}succinic acid | C11H21O19P3

(2R)-2-{[(Hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}succinic acid

  • Molecular FormulaC11H21O19P3
  • Average mass550.194 Da
  • Monoisotopic mass549.989014 Da
  • ChemSpider ID5256687

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-{[(Hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}bernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-{[(Hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}succinic acid [ACD/IUPAC Name]
Acide (2R)-2-{[(hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]méthyl}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[[hydroxy[[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]-, (2R)- [ACD/Index Name]
1-(3-sn-phosphatidyl)-1D-myo-inositol 3,4-bis(dihydrogen phosphate)
1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)
1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate
1-phosphatidyl-1D-myo-inositol 3,4-bisphosphates

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

CHEBI:16152 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 923.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.4±6.0 kJ/mol
Flash Point: 512.3±37.1 °C
Index of Refraction: 1.624
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -11.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 134.6±5.0 dyne/cm
Molar Volume: 265.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement