ChemSpider 2D Image | (E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-D-serine | C11H15N2O8P

(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-D-serine

  • Molecular FormulaC11H15N2O8P
  • Average mass334.219 Da
  • Monoisotopic mass334.056610 Da
  • ChemSpider ID35033761

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2r)-2-[(E)-[2-Methyl-3-Oxidanyl-5-(Phosphonooxymethyl)pyridin-4-Yl]methylideneamino]-3-Oxidanyl-Propanoic Acid
(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)-D-serin [German] [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)-D-serine [ACD/IUPAC Name]
(E)-N-({3-Hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)-D-sérine [French] [ACD/IUPAC Name]
D-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]-, (E)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 741.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -6.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 77.9±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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