ChemSpider 2D Image | N-{[(1S,2R)-1-Carboxylato-2-hydroxypropyl]carbamoyl}adenosine | C15H19N6O8

N-{[(1S,2R)-1-Carboxylato-2-hydroxypropyl]carbamoyl}adenosine

  • Molecular FormulaC15H19N6O8
  • Average mass411.347 Da
  • Monoisotopic mass411.126984 Da
  • ChemSpider ID58163599

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Adenosine, N-[[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]carbonyl]-, ion(1-) [ACD/Index Name]
N-{[(1S,2R)-1-Carboxylato-2-hydroxypropyl]carbamoyl}adenosin [German] [ACD/IUPAC Name]
N-{[(1S,2R)-1-Carboxylato-2-hydroxypropyl]carbamoyl}adenosine [ACD/IUPAC Name]
N-{[(1S,2R)-1-Carboxylato-2-hydroxypropyl]carbamoyl}adénosine [French] [ACD/IUPAC Name]
N(6)-carbamoyl-L-threonyladenosine(1-)
N(6)-carbamoylthreonyladenosine(1-)
N(6)-threonylcarbamoyladenosine(1-)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]-L-threonate
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate
t(6)a(1-)
  • Miscellaneous

    • Chemical Class:

      A hydroxy monocarboxylic acid anion that is the conjugate base of N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133071

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability:
Surface Tension:
Molar Volume:

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