ChemSpider 2D Image | N-(7-Bromoheptanoyl)-O-phosphonothreonine | C11H21BrNO7P

N-(7-Bromoheptanoyl)-O-phosphonothreonine

  • Molecular FormulaC11H21BrNO7P
  • Average mass390.165 Da
  • Monoisotopic mass389.023895 Da
  • ChemSpider ID68026702

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-(7-Bromheptanoyl)-O-phosphonothreonin [German] [ACD/IUPAC Name]
N-(7-Bromoheptanoyl)-O-phosphonothreonine [ACD/IUPAC Name]
N-(7-Bromoheptanoyl)-O-phosphonothréonine [French] [ACD/IUPAC Name]
Threonine, N-(7-bromo-1-oxoheptyl)-O-phosphono- [ACD/Index Name]
7-bromoheptanoylthreonine phosphate

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 250.1±3.0 cm3

Click to predict properties on the Chemicalize site


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