Found 19 results

Search term: MF = 'C_{9}H_{14}NO_{6}P'
ChemSpider 2D Image | (2R,3S)-3-Methyl-3-(phosphonoacetyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid | C9H14NO6P

(2R,3S)-3-Methyl-3-(phosphonoacetyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid

  • Molecular FormulaC9H14NO6P
  • Average mass263.184 Da
  • Monoisotopic mass263.055878 Da
  • ChemSpider ID23161485

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-Methyl-3-(phosphonoacetyl)-1,2,3,6-tetrahydro-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
(2R,3S)-3-Methyl-3-(phosphonoacetyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid [ACD/IUPAC Name]
(2R,3S)-3-methyl-3-(phosphonoacetyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
2-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-3-methyl-3-(2-phosphonoacetyl)-, (2R,3S)- [ACD/Index Name]
Acide (2R,3S)-3-méthyl-3-(2-phosphonoacétyl)-1,2,3,6-tétrahydro-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
(2R,3S)-3-Methyl-3-(2-phosphono-acetyl)-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305487/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 551.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 287.1±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -5.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 176.9±3.0 cm3

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