ChemSpider 2D Image | 3-Deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-6-O-phosphono-alpha-D-glucopyranose | C14H22N2O13P2

3-Deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-6-O-phosphono-α-D-glucopyranose

  • Molecular FormulaC14H22N2O13P2
  • Average mass488.278 Da
  • Monoisotopic mass488.059723 Da
  • ChemSpider ID35034157

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-6-O-phosphono-α-D-glucopyranose [ACD/IUPAC Name]
3-Deoxy-3-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methylidene)amino]-6-O-Phosphono-α-D-Glucopyranose
3-Desoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)amino]-6-O-phosphono-α-D-glucopyranose [German] [ACD/IUPAC Name]
3-Désoxy-3-[(E)-({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)amino]-6-O-phosphono-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 3-deoxy-3-[[(1E)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]-, 6-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 960.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 534.9±37.1 °C
Index of Refraction: 1.706
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -7.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 104.9±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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