ChemSpider 2D Image | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN | C31H45N6O16P

5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN

  • Molecular FormulaC31H45N6O16P
  • Average mass788.693 Da
  • Monoisotopic mass788.262939 Da
  • ChemSpider ID26330021

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN
5-{4-[(6R,6aS,7S)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-5-deoxy-1-O-{5-O-[(S)-[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl]-α-D-arabinofuranosy l}-D-arabinitol [ACD/IUPAC Name]
5-{4-[(6R,6aS,7S)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-5-desoxy-1-O-{5-O-[(S)-[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl]-α-D-arabinofuranos yl}-D-arabinitol [German] [ACD/IUPAC Name]
5-{4-[(6R,6aS,7S)-3-Amino-6,7-diméthyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8(9H)-yl]phényl}-5-désoxy-1-O-{5-O-[(S)-[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl]-α-D-arabinofuranos yl}-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 5-[4-[(6R,6aS,7S)-3-amino-1,2,5,6,6a,7-hexahydro-6,7-dimethyl-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl]phenyl]-5-deoxy-1-O-[5-O-[(S)-[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ara binofuranosyl]- [ACD/Index Name]
(2S)-2-({[(2R,3S,4S,5S)-5-{[(2R,3R,4R)-5-{4-[(6R,6aS,7S)-3-amino-6,7-dimethyl-1-oxo-2H,5H,6H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]me
(2S)-2-[({[(2R,3S,4S,5S)-5-{[(2R,3R,4R)-5-{4-[(6R,6aS,7S)-3-amino-6,7-dimethyl-1-oxo-1H,2H,5H,6H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-
(2S)-2-[({[(2R,3S,4S,5S)-5-{[(2R,3R,4R)-5-{4-[(6R,6aS,7S)-3-amino-6,7-dimethyl-1-oxo-1H,2H,5H,6H,6aH,7H,8H,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

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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