ChemSpider 2D Image | (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine | C17H27N8O9P

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine

  • Molecular FormulaC17H27N8O9P
  • Average mass518.418 Da
  • Monoisotopic mass518.163879 Da
  • ChemSpider ID26332029

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine
5'-O-[(3-Aminopropoxy)(L-α-asparagylamino)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(3-Aminopropoxy)(L-α-aspartylamino)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(3-Aminopropoxy)(L-α-aspartylamino)phosphoryl]adénosine [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      An organic phosphoramidate that is 5'-<element>O</element>-[amino(3-aminopropoxy)phosphoryl]adenosine in which the nitrogen of the phosphoramidite is acylated by a (2<stereo>S</stereo>)-2-amino-3-carb oxypropanoyl group. ChEBI CHEBI:60869
      An organic phosphoramidate that is 5'-O-[amino(3-aminopropoxy)phosphoryl]adenosine in which the nitrogen of the phosphoramidite is acylated by a (2S)-2-amino-3-carboxypropanoyl group. ChEBI CHEBI:60869

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.786
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 105.0±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

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