ChemSpider 2D Image | (2S)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]hexanedioic acid | C14H21N2O9P

(2S)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]hexanedioic acid

  • Molecular FormulaC14H21N2O9P
  • Average mass392.298 Da
  • Monoisotopic mass392.098480 Da
  • ChemSpider ID25059206

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]hexandisäure [German] [ACD/IUPAC Name]
(2S)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]hexanedioic acid [ACD/IUPAC Name]
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid
Acide (2S)-2-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)amino]hexanedioïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 2-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]-, (2S)- [ACD/Index Name]
N5F

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

Density: 1.6±0.1 g/cm3
Boiling Point: 779.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.1±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 253.0±3.0 cm3

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