ChemSpider 2D Image | (4S)-5-Imino-1-(5-O-phosphono-beta-L-xylofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxamide | C9H15N4O8P

(4S)-5-Imino-1-(5-O-phosphono-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxamide

  • Molecular FormulaC9H15N4O8P
  • Average mass338.211 Da
  • Monoisotopic mass338.062744 Da
  • ChemSpider ID62598517

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S)-4-Carbamoyl-5-iminio-1-(5-O-phosphonato-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazol-3-ium [German] [ACD/IUPAC Name]
(4S)-4-Carbamoyl-5-iminio-1-(5-O-phosphonato-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazol-3-ium [ACD/IUPAC Name]
(4S)-4-Carbamoyl-5-iminio-1-(5-O-phosphonato-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazol-3-ium [French] [ACD/IUPAC Name]
(4S)-5-Imino-1-(5-O-phosphono-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
(4S)-5-Imino-1-(5-O-phosphono-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
(4S)-5-Imino-1-(5-O-phosphono-β-L-xylofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-Imidazole-4-carboxamide, 4,5-dihydro-5-imino-1-(5-O-phosphono-β-L-xylofuranosyl)-, (4S)- [ACD/Index Name]
1H-Imidazolium, 4-(aminocarbonyl)-4,5-dihydro-5-iminio-1-(5-O-phosphono-β-L-xylofuranosyl)-, bis(inner salt), (4S)- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 735.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 398.7±35.7 °C
Index of Refraction: 1.831
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -6.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 140.4±7.0 dyne/cm
Molar Volume: 146.7±7.0 cm3

Click to predict properties on the Chemicalize site


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