ChemSpider 2D Image | 1-(4-{[(1R)-1-(2-Amino-7-methyl-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phosphinato)-alpha-D-ribof uranosyl]-1-deoxy-D-ribitol | C35H44N7O19P

1-(4-{[(1R)-1-(2-Amino-7-methyl-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phosphinato)-α-D-ribof uranosyl]-1-deoxy-D-ribitol

  • Molecular FormulaC35H44N7O19P
  • Average mass897.735 Da
  • Monoisotopic mass897.245178 Da
  • ChemSpider ID28184649

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-(4-{[(1R)-1-(2-Amino-7-methyl-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phosphinato)-α-D-ribof uranosyl]-1-deoxy-D-ribitol [ACD/IUPAC Name]
1-(4-{[(1R)-1-(2-Amino-7-methyl-4-oxo-1,4-dihydro-6-pteridinyl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phosphinato)-α-D-ribof uranosyl]-1-desoxy-D-ribitol [German] [ACD/IUPAC Name]
1-(4-{[(1R)-1-(2-Amino-7-méthyl-4-oxo-1,4-dihydro-6-ptéridinyl)éthyl]amino}phényl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phosphinato)-α-D-ribof uranosyl]-1-désoxy-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-[4-[[(1R)-1-(2-amino-4,8-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-5-O-[5-O-[[(1S)-3-carboxy-1-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]propoxy]hydroxyphosphinyl]-α-D- ribofuranosyl]-1-deoxy-, ion(4-) [ACD/Index Name]
1-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phosphinato)-α-D-ribof
1-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phosphinato)-α-D-ribofuranosyl]-1-deoxy-D-ribitol
sarcinapterin(4-)
uranosyl]-1-deoxy-D-ribitol
  • Miscellaneous

    • Chemical Class:

      The organophosphate oxoanion and tricarboxylic acid trianion formed from sarcinapterin by loss of a proton from the phospho group and from each of the three carboxy groups; major microspecies present at pH 7.3. ChEBI CHEBI:64514

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 14
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.64
ACD/LogD (pH 5.5): -10.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 442 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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