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ChemSpider 2D Image | 5-methyltetrahydrosarcinapterin(4-) | C36H50N7O19P

5-methyltetrahydrosarcinapterin(4-)

  • Molecular FormulaC36H50N7O19P
  • Average mass915.794 Da
  • Monoisotopic mass915.292114 Da
  • ChemSpider ID27471434

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

1-[4-({(1R)-1-[(6S,7S)-2-Amino-5,7-dimethyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)phenyl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phos ;phinato)-α-D-ribofuranosyl]-1-deoxy-D-ribitol [ACD/IUPAC Name]
1-[4-({(1R)-1-[(6S,7S)-2-Amino-5,7-dimethyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)phenyl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phos ;phinato)-α-D-ribofuranosyl]-1-desoxy-D-ribitol [German] [ACD/IUPAC Name]
1-[4-({(1R)-1-[(6S,7S)-2-Amino-5,7-diméthyl-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]éthyl}amino)phényl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-butanyl]oxy}phos ;phinato)-α-D-ribofuranosyl]-1-désoxy-D-ribitol [French] [ACD/IUPAC Name]
5-methyltetrahydrosarcinapterin(4-)
D-Ribitol, 1-[4-[[(1R)-1-[(6S,7S)-2-amino-3,4,5,6,7,8-hexahydro-5,7-dimethyl-4-oxo-6-pteridinyl]ethyl]amino]phenyl]-5-O-[5-O-[[(1S)-3-carboxy-1-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]propoxy]hydro ;xyphosphinyl]-α-D-ribofuranosyl]-1-deoxy-, ion(4-) [ACD/Index Name]
1-[4-({(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phos
1-[4-({(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-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-DD-ribofuranosyl]-1-deoxy-D-ribitol
5-methyl-5,6,7,8-tetrahydrosarcinapterin(4-)
5-methyltetrahydrosarcinapterin
5-methyltetrahydrosarcinapterin tetraanion

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

CHEBI:64267 [DBID]
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid anion obtained by deprotonation of the carboxy and phosphate groups of 5-methyltetrahydrosarcinapterin; major species at pH 7.3. ChEBI CHEBI:64267

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: 15
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.71
ACD/LogD (pH 5.5): -9.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 432 Å2
Polarizability:
Surface Tension:
Molar Volume:

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