ChemSpider 2D Image | (1R,2S,3S,4R,5R,6S)-3-[(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl phosphate | C14H24NO14P

(1R,2S,3S,4R,5R,6S)-3-[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl phosphate

  • Molecular FormulaC14H24NO14P
  • Average mass461.314 Da
  • Monoisotopic mass461.094543 Da
  • ChemSpider ID26331419

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3S,4R,5R,6S)-3-[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(1R,2S,3S,4R,5R,6S)-3-[(2-Acetamido-2-desoxy-α-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
Phosphate de (1R,2S,3S,4R,5R,6S)-3-[(2-acétamido-2-désoxy-α-D-glucopyranosyl)oxy]-2,4,5,6-tétrahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1S,2R,3R,4S,5R,6S)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl 2-(acetylamino)-2-deoxy-, ion(2-) [ACD/Index Name]
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate dianion
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate(2-)
1-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol 3-phosphate
GlcNAc-Ins-P
missing
  • Miscellaneous

    • Chemical Class:

      Dianion of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate arising from deptonation of both OH groups of the phosphate. ChEBI CHEBI:58892
      Dianion of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate arising from deptonation of both OH groups of the; phosphate. ChEBI CHEBI:58892

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -5.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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