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Search term: InChIKey=MOCJJJAHSBGNFS-MEUKVILTSA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate | C17H23N6O10P

4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate

  • Molecular FormulaC17H23N6O10P
  • Average mass502.372 Da
  • Monoisotopic mass502.121338 Da
  • ChemSpider ID29368050
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate
7-[(3S)-3-Amino-3-carboxypropyl]-6-methyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
7-[(3S)-3-Amino-3-carboxypropyl]-6-methyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
7-[(3S)-3-Amino-3-carboxypropyl]-6-méthyl-3-(5-O-phosphono-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-carboxypropyl]-3,4-dihydro-6-methyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion
7-[(3S)-3-azaniumyl-3-carboxylatopropyl]-6-methyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73557
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73559
  • Miscellaneous
    • Chemical Class:

      A ribonucleoside 5'-monophosphate having (2<stereo>S</stereo>)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3<element>H</element>-imidazo[1,2-<ital>a</ital>]purin-7-yl)butanoic acid as the nucleobase. ChEBI CHEBI:73557, CHEBI:73559
      An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. ChEBI CHEBI:73557, CHEBI:73559

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 1053.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 591.2±37.1 °C
Index of Refraction: 1.860
Molar Refractivity: 105.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 117.8±7.0 dyne/cm
Molar Volume: 235.1±7.0 cm3

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