ChemSpider 2D Image | [5-[4-carbamoyl-5-[[(E)-(3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl)iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate | C15H25N5O15P2

[5-[4-carbamoyl-5-[[(E)-(3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl)iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

  • Molecular FormulaC15H25N5O15P2
  • Average mass577.331 Da
  • Monoisotopic mass577.082214 Da
  • ChemSpider ID988

More details:






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

[(2R,3S,4R,5R)-5-[4-CARBAMOYL-5-[[(E)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
4097-42-1 [RN]
phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate
phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate
phosphoribulosylformimino-AICAR-P
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P
phosphoribulosylformiminoAICAR-phosphate
PRFAR

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1136.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.4±3.0 kJ/mol
Flash Point: 640.9±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -7.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 127.9±7.0 dyne/cm
Molar Volume: 266.0±7.0 cm3

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