ChemSpider 2D Image | carbamoyl adenylate | C11H15N6O8P

carbamoyl adenylate

  • Molecular FormulaC11H15N6O8P
  • Average mass390.246 Da
  • Monoisotopic mass390.068909 Da
  • ChemSpider ID26327459

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(Carbamoyloxy)(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(Carbamoyloxy)(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(Carbamoyloxy)(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[(aminocarbonyl)oxy]hydroxyphosphinyl]- [ACD/Index Name]
carbamoyl adenylate
CA0
carbamoyl-AMP
O-Carbamoyladenylate
  • Miscellaneous

    • Chemical Class:

      A purine ribonucleoside 5'-monophosphate that is AMP in which one of the phosphate OH groups substituted by a carbamoyl group ChEBI CHEBI:73680

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

Density: 2.3±0.1 g/cm3
Boiling Point: 791.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.7±35.7 °C
Index of Refraction: 1.887
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -5.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 139.4±7.0 dyne/cm
Molar Volume: 168.9±7.0 cm3

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