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Search term: WIEBWZUDVIPWHZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate | C19H27N6O10P

7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate

  • Molecular FormulaC19H27N6O10P
  • Average mass530.426 Da
  • Monoisotopic mass530.152649 Da
  • ChemSpider ID29368310

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate
7-[(3S)-3-Amino-4-methoxy-4-oxobutyl]-4,6-dimethyl-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-4-methoxy-4-oxobutyl]-4,6-dimethyl-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-4-méthoxy-4-oxobutyl]-4,6-diméthyl-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-4-methoxy-4-oxobutyl]-3,4-dihydro-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A ribonucleoside 5'-monophosphate having methyl (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)butanoate as the nucleobase. ChEBI CHEBI:74446
      A ribonucleoside 5'-monophosphate having methyl (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoate as the nucleobase. ChEBI CHEBI:74446

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

Density: 1.9±0.1 g/cm3
Boiling Point: 965.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 537.6±37.1 °C
Index of Refraction: 1.766
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 90.0±7.0 dyne/cm
Molar Volume: 280.8±7.0 cm3

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