ChemSpider 2D Image | (1R,2R,3R,4R,5S,6R)-2,3,4,5-Tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphatato(2-) | C12H21O14P

(1R,2R,3R,4R,5S,6R)-2,3,4,5-Tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphatato(2-)

  • Molecular FormulaC12H21O14P
  • Average mass420.262 Da
  • Monoisotopic mass420.067993 Da
  • ChemSpider ID76963078

  • Charge - Charge

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1R,2R,3R,4R,5S,6R)-2,3,4,5-Tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphatato(2-) [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6R)-2,3,4,5-Tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexylphosphat [German] [ACD/IUPAC Name]
D-Mannopyranosido(2-), (1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl, ion(2-) [ACD/Index Name]
Phosphate de (1R,2R,3R,4R,5S,6R)-2,3,4,5-tétrahydroxy-6-(D-mannopyranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-phosphate
Man-1-2-Ins-1-P(2-)
mannose-1D-myo-inositol 1-phosphate(2-)
mannosylinositol-1-phosphate
mannosylinositol-1-phosphate(2-)

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

Density:
Boiling Point: 753.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.91
ACD/LogD (pH 5.5): -7.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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