ChemSpider 2D Image | 1-O-Phosphono-D-tagatose | C6H13O9P

1-O-Phosphono-D-tagatose

  • Molecular FormulaC6H13O9P
  • Average mass260.136 Da
  • Monoisotopic mass260.029724 Da
  • ChemSpider ID30776573

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-O-Phosphono-D-tagatose [German] [ACD/IUPAC Name]
1-O-Phosphono-D-tagatose [ACD/IUPAC Name]
1-O-Phosphono-D-tagatose [French] [ACD/IUPAC Name]
D-Tagatose, 1-(dihydrogen phosphate) [ACD/Index Name]
[(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]oxyphosphonic acid
{[(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]oxy}phosphonic acid
63323-90-0 [RN]
D-Tagatose 1-phosphate

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 112.3±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

Click to predict properties on the Chemicalize site


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