ChemSpider 2D Image | 2-Deoxy-2-Amino Glucitol-6-Phosphate | C6H16NO8P

2-Deoxy-2-Amino Glucitol-6-Phosphate

  • Molecular FormulaC6H16NO8P
  • Average mass261.167 Da
  • Monoisotopic mass261.061340 Da
  • ChemSpider ID26329731

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Deoxy-2-Amino Glucitol-6-Phosphate
5-Amino-5-deoxy-1-O-phosphono-D-iditol [ACD/IUPAC Name]
5-Amino-5-desoxy-1-O-phosphono-D-iditol [German] [ACD/IUPAC Name]
5-Amino-5-désoxy-1-O-phosphono-D-iditol [French] [ACD/IUPAC Name]
D-Iditol, 5-amino-5-deoxy-, 1-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3R,4S,5R)-5-amino-2,3,4,6-tetrahydroxyhexyl]oxyphosphonic acid
{[(2R,3R,4S,5R)-5-amino-2,3,4,6-tetrahydroxyhexyl]oxy}phosphonic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 669.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.38
ACD/LogD (pH 5.5): -6.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 111.2±3.0 dyne/cm
Molar Volume: 148.3±3.0 cm3

Click to predict properties on the Chemicalize site


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