ChemSpider 2D Image | 1-[4-(3-Amino-6,7-dimethyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)phosphinato]pentofuranosyl}pentitol | C31H44N6O16P

1-[4-(3-Amino-6,7-dimethyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)phosphinato]pentofuranosyl}pentitol

  • Molecular FormulaC31H44N6O16P
  • Average mass787.686 Da
  • Monoisotopic mass787.255676 Da
  • ChemSpider ID862

  • Charge - Charge

More details:

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

1-[4-(3-Amino-6,7-dimethyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)phosphinato]pentofuranosyl}pentitol [ACD/IUPAC Name]
1-[4-(3-Amino-6,7-dimethyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)phenyl]-1-desoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)phosphinato]pentofuranosyl}pentitol [German] [ACD/IUPAC Name]
1-[4-(3-Amino-6,7-diméthyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8(9H)-yl)phényl]-1-désoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)phosphinato]pentofuranosyl}pentitol [French] [ACD/IUPAC Name]
Pentitol, 1-[4-(3-amino-1,4,5,6,6a,7-hexahydro-6,7-dimethyl-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)phenyl]-1-deoxy-5-O-[5-O-[(1,3-dicarboxypropoxy)hydroxyphosphinyl]pentofuranosyl]-, ion(1-) [ACD/Index Name]
5,10-methylene-5,6,7,8-tetrahydromethanopterin
5,10-methylene-H4MPT
5,10-methylene-tetrahydromethanopterin
methylene-H4MPT
METHYLENETETRAHYDROMETHANOPTERIN
N5,N10-methylene-5,6,7,8-tetrahydromethanopterin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 1156.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.9±3.0 kJ/mol
Flash Point: 653.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#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): -7.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 349 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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