ChemSpider 2D Image | 3'-L-aspartyl-AMP | C14H19N6O10P

3'-L-aspartyl-AMP

  • Molecular FormulaC14H19N6O10P
  • Average mass462.309 Da
  • Monoisotopic mass462.090027 Da
  • ChemSpider ID58163439

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-3-Amino-4-({(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
(3S)-3-Amino-4-({(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
3'-L-aspartyl-AMP
Acide (3S)-3-amino-4-({(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)méthyl]tétrahydro-3-furanyl}oxy)-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-[(2S)-2-amino-3-carboxy-1-oxopropyl]-, 5'-(dihydrogen phosphate) [ACD/Index Name]
3'-aspartyl-AMP
3'-O-aspartyl-AMP
3'-O-L-aspartyladenosine 5'-monophosphate
3'-O-L-aspartyl-AMP
3'-O-L-α-aspartyladenosine 5'-(dihydrogen phosphate)
  • Miscellaneous

    • Chemical Class:

      An <stereo>L</stereo>-aspartic acid derivative that is the ester obtained by formal condensation of the <locant>alpha</locant>-carboxy group of <stereo>L</stereo>-aspartic acid with the 3'-hydroxy gro up of AMP. ChEBI CHEBI:131554
      An L-aspartic acid derivative that is the ester obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the 3'-hydroxy group of AMP. ChEBI CHEBI:131554

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

Density: 2.2±0.1 g/cm3
Boiling Point: 884.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 488.7±37.1 °C
Index of Refraction: 1.835
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -6.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 125.1±7.0 dyne/cm
Molar Volume: 211.6±7.0 cm3

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