ChemSpider 2D Image | N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate | C12H17N6O7P

N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate

  • Molecular FormulaC12H17N6O7P
  • Average mass388.273 Da
  • Monoisotopic mass388.089630 Da
  • ChemSpider ID58151282

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,3S,5R)-5-{6-[(2-Amino-2-oxoethyl)amino]-9H-purin-9-yl}-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-5-{6-[(2-Amino-2-oxoethyl)amino]-9H-purin-9-yl}-3-hydroxytetrahydro-2-furanyl]methyldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Adenosine, N-(2-amino-2-oxoethyl)-2'-deoxy-, 5'-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de [(2R,3S,5R)-5-{6-[(2-amino-2-oxoéthyl)amino]-9H-purin-9-yl}-3-hydroxytétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate
N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-phosphate
N(6)-carbamoylmethyl-2'-deoxyadenosine monophosphate
N(6)-carbamoylmethyldeoxyadenosine 5'-dAMP
N(6)-carbamoylmethyldeoxyadenosine dAMP
N(6)-carbamoylmethyldeoxyadenosine monophosphate
  • Miscellaneous

    • Chemical Class:

      A nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group. ChEBI CHEBI:103067

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

Density: 2.1±0.1 g/cm3
Boiling Point: 885.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.8±3.0 kJ/mol
Flash Point: 489.1±37.1 °C
Index of Refraction: 1.834
Molar Refractivity: 82.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 116.5±7.0 dyne/cm
Molar Volume: 186.5±7.0 cm3

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