ChemSpider 2D Image | 1-Deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-iditol | C7H19NO11P2

1-Deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-iditol

  • Molecular FormulaC7H19NO11P2
  • Average mass355.173 Da
  • Monoisotopic mass355.043335 Da
  • ChemSpider ID26329881

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-iditol [ACD/IUPAC Name]
1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL
1-Desoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-iditol [German] [ACD/IUPAC Name]
1-Désoxy-6-O-phosphono-1-[(phosphonométhyl)amino]-D-iditol [French] [ACD/IUPAC Name]
D-Iditol, 1-deoxy-1-[(phosphonomethyl)amino]-, 6-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-[(phosphonomethyl)amino]hexyl]oxyphosphonic acid
{[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-[(phosphonomethyl)amino]hexyl]oxy}phosphonic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 818.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.8±37.1 °C
Index of Refraction: 1.611
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -5.24
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 120.0±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site


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