ChemSpider 2D Image | N(5)-formyl-5,6,7,8-tetrahydromethanopterin | C31H45N6O17P

N(5)-formyl-5,6,7,8-tetrahydromethanopterin

  • Molecular FormulaC31H45N6O17P
  • Average mass804.693 Da
  • Monoisotopic mass804.257874 Da
  • ChemSpider ID4573627

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

1-[4-({(1R)-1-[(7S)-2-Amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ri bitol [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]ethyl}amino)phenyl]-1-desoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-r ibitol [German] [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-5-formyl-7-méthyl-4-oxo-1,4,5,6,7,8-hexahydro-6-ptéridinyl]éthyl}amino)phényl]-1-désoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-r ibitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-[4-[[(1R)-1-[(7S)-2-amino-5-formyl-3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl]ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofurano syl]- [ACD/Index Name]
N(5)-formyl-5,6,7,8-tetrahydromethanopterin
1-(4-{(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphono]-α-D-ribofuranosyl}-D-ribitol
5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL
5-formyl-5,6,7,8-tetrahydromethanopterin
5-Formyl-H4MPT
5-formyltetrahydromethanopterin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:17114 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 176.4±0.5 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.29
ACD/LogD (pH 5.5): -8.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 372 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 82.4±7.0 dyne/cm
Molar Volume: 451.4±7.0 cm3

Click to predict properties on the Chemicalize site


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