ChemSpider 2D Image | (2R,3S)-3-(Phosphonoacetyl)-2-piperidinecarboxylic acid | C8H14NO6P

(2R,3S)-3-(Phosphonoacetyl)-2-piperidinecarboxylic acid

  • Molecular FormulaC8H14NO6P
  • Average mass251.174 Da
  • Monoisotopic mass251.055878 Da
  • ChemSpider ID18712319

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(Phosphonoacetyl)-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R,3S)-3-(Phosphonoacetyl)-2-piperidinecarboxylic acid [ACD/IUPAC Name]
(2R,3S)-3-(phosphonoacetyl)piperidine-2-carboxylic acid
2-Piperidinecarboxylic acid, 3-(2-phosphonoacetyl)-, (2R,3S)- [ACD/Index Name]
Acide (2R,3S)-3-(2-phosphonoacétyl)-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(2R,3S)-3-(2-Phosphono-acetyl)-piperidine-2-carboxylic acid
138738-21-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281190/

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

Mdl 100925 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 559.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -5.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 165.1±3.0 cm3

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