ChemSpider 2D Image | 3-[(1S,2R)-2-(2-Phosphonoethyl)cyclohexyl]-D-alanine | C11H22NO5P

3-[(1S,2R)-2-(2-Phosphonoethyl)cyclohexyl]-D-alanine

  • Molecular FormulaC11H22NO5P
  • Average mass279.270 Da
  • Monoisotopic mass279.123566 Da
  • ChemSpider ID23194262

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(1S,2R)-2-(2-Phosphonoethyl)cyclohexyl]-D-alanin [German] [ACD/IUPAC Name]
3-[(1S,2R)-2-(2-Phosphonoethyl)cyclohexyl]-D-alanine [ACD/IUPAC Name]
3-[(1S,2R)-2-(2-Phosphonoéthyl)cyclohexyl]-D-alanine [French] [ACD/IUPAC Name]
Cyclohexanepropanoic acid, α-amino-2-(2-phosphonoethyl)-, (αR,1S,2R)- [ACD/Index Name]
(R)-2-Amino-3-[(1S,2R)-2-(2-phosphono-ethyl)-cyclohexyl]-propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.9±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 268.2±31.8 °C
Index of Refraction: 1.523
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 215.9±3.0 cm3

Click to predict properties on the Chemicalize site


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