ChemSpider 2D Image | 1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosy l)-D-ribitol | C31H44N6O16P

1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosy l)-D-ribitol

  • Molecular FormulaC31H44N6O16P
  • Average mass787.685 Da
  • Monoisotopic mass787.254578 Da
  • ChemSpider ID389272

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosy l)-D-ribitol [ACD/IUPAC Name]
1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-desoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranos yl)-D-ribitol [German] [ACD/IUPAC Name]
1-{4-[(6S,6aR,7R)-3-Amino-6,7-diméthyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]ptéridin-10-ium-8-yl]phényl}-1-désoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranos yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-[4-[(6S,6aR,7R)-3-amino-1,2,5,6,6a,7-hexahydro-6,7-dimethyl-1-oxo-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-rib ofuranosyl]- [ACD/Index Name]
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ribitol
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ribitol5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
5,10-(methanylylidene)tetrahydromethanopterin
5,10-methenyl-5,6,7,8-tetrahydromethanopterin
5,10-Methenyltetrahydromethanopterin
N(5),N(10)-methenyltetrahydromethanopterin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04330 [DBID]
CHEBI:17975 [DBID]
  • Miscellaneous

    • Chemical Class:

      A tetrahydromethanopterin having a methanylylidene joined to the nitrogens at the 5- and 10-positions. ChEBI CHEBI:17975

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: 22
#H bond donors: 12
#Freely Rotating Bonds: 17
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 346 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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