ChemSpider 2D Image | (2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid | C14H20N3O8P

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid

  • Molecular FormulaC14H20N3O8P
  • Average mass389.298 Da
  • Monoisotopic mass389.098816 Da
  • ChemSpider ID26328631
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid [ACD/IUPAC Name]
(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butensäure [German] [ACD/IUPAC Name]
(2e,3e)-4-(2-Aminoethoxy)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)imino]but-3-Enoic Acid
3-Butenoic acid, 4-(2-aminoethoxy)-2-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]imino]-, (2E,3E)- [ACD/Index Name]
Acide (2E,3E)-4-(2-aminoéthoxy)-2-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)imino]-3-buténoïque [French] [ACD/IUPAC Name]
4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.7±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: 402.3±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 251.9±7.0 cm3

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