ChemSpider 2D Image | 5,10-Methylenetetrahydromethanopterin | C31H45N6O16P

5,10-Methylenetetrahydromethanopterin

  • Molecular FormulaC31H45N6O16P
  • Average mass788.693 Da
  • Monoisotopic mass788.262939 Da
  • ChemSpider ID389288

  • 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-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ri bitol [ACD/IUPAC Name]
1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]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-[(6S,6aR,7R)-3-Amino-6,7-diméthyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8(9H)-yl]phényl}-1-désoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-r ibitol [French] [ACD/IUPAC Name]
5,10-Methylenetetrahydromethanopterin
D-Ribitol, 1-[4-[(6S,6aR,7R)-3-amino-1,2,5,6,6a,7-hexahydro-6,7-dimethyl-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofurano syl]- [ACD/Index Name]
(2S)-2-({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-{4-[(6S,6aR,7R)-1-hydroxy-3-imino-6,7-dimethyl-4H,5H,6H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)pentanedioic acid
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ri
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ribitol
N(5),N(10)-methylenetetrahydromethanopterin
N5,N10-Methylenetetrahydromethanopterin

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

C04377 [DBID]
CHEBI:16568 [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: 1.739
Molar Refractivity: 173.9±0.5 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -7.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 85.8±7.0 dyne/cm
Molar Volume: 431.8±7.0 cm3

Click to predict properties on the Chemicalize site


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