ChemSpider 2D Image | 7-[(3S)-3-Ammonio-3-carboxylato-2-hydroxypropyl]-4,6-dimethyl-3-(beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one | C18H24N6O8

7-[(3S)-3-Ammonio-3-carboxylato-2-hydroxypropyl]-4,6-dimethyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

  • Molecular FormulaC18H24N6O8
  • Average mass452.419 Da
  • Monoisotopic mass452.165558 Da
  • ChemSpider ID28639386

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

7-[(3S)-3-Ammonio-3-carboxylato-2-hydroxypropyl]-4,6-dimethyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
7-[(3S)-3-Ammonio-3-carboxylato-2-hydroxypropyl]-4,6-dimethyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
7-[(3S)-3-Ammonio-3-carboxylato-2-hydroxypropyl]-4,6-diméthyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 7-[(3S)-3-amino-3-carboxy-2-hydroxypropyl]-3,4-dihydro-4,6-dimethyl-3-β-D-ribofuranosyl- [ACD/Index Name]
7-[(3S)-3-azaniumyl-3-carboxylato-2-hydroxypropyl]-4,6-dimethyl-3-(5-O-phosohono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
OHyW-72
  • Miscellaneous

    • Chemical Class:

      An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate. ChEBI CHEBI:73626

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

Density:
Boiling Point: 1003.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.4±3.0 kJ/mol
Flash Point: 560.8±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -5.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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