ChemSpider 2D Image | beta-hydroxywybutosine 5'-monophosphate | C21H29N6O13P

β-hydroxywybutosine 5'-monophosphate

  • Molecular FormulaC21H29N6O13P
  • Average mass604.461 Da
  • Monoisotopic mass604.153015 Da
  • ChemSpider ID29368051

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-[4,6-Diméthyl-9-oxo-3-(5-O-phosphono-β-D-ribofuranosyl)-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl]-N-(méthoxycarbonyl)-L-thréoninate de méthyle [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 3,4-dihydro-7-[(3S)-2-hydroxy-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl]-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
Methyl 4-[4,6-dimethyl-9-oxo-3-(5-O-phosphono-β-D-ribofuranosyl)-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl]-N-(methoxycarbonyl)-L-threoninate [ACD/IUPAC Name]
Methyl-4-[4,6-dimethyl-9-oxo-3-(5-O-phosphono-β-D-ribofuranosyl)-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl]-N-(methoxycarbonyl)-L-threoninat [German] [ACD/IUPAC Name]
β-hydroxywybutosine 5'-monophosphate
3-hydroxywybutosine
hydroxywybutosine
OHyW
  • Miscellaneous

    • Chemical Class:

      A ribonucleotide that is the 5'-monophosphate derivative of <locant>beta</locant>-hydroxywybutosine. ChEBI CHEBI:73622
      A ribonucleotide that is the 5'-monophosphate derivative of beta-hydroxywybutosine. ChEBI CHEBI:73622

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -5.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 86.2±7.0 dyne/cm
Molar Volume: 320.8±7.0 cm3

Click to predict properties on the Chemicalize site


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