ChemSpider 2D Image | 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate | C18H25N6O10P

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

  • Molecular FormulaC18H25N6O10P
  • Average mass516.399 Da
  • Monoisotopic mass516.136963 Da
  • ChemSpider ID29368049

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate
7-[(3S)-3-Amino-3-carboxypropyl]-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-3-carboxypropyl]-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-3-carboxypropyl]-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-3-carboxypropyl]-3,4-dihydro-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
7-[(3S)-3-amino-3-carboxypropyl]-4,6-dimethyl-3-(5-O-phosphono β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
  • Miscellaneous

    • Chemical Class:

      A ribonucleoside 5'-monophosphate that is wyosine 5'-monophosphate substituted at position 7 by a 3-amino-3-carboxypropyl group. ChEBI CHEBI:73553

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1020.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.1±3.0 kJ/mol
Flash Point: 571.0±37.1 °C
Index of Refraction: 1.817
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 104.7±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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