ChemSpider 2D Image | 1-[4-({(1R)-1-[(7S)-2-Amino-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}-alpha-D-ribofuranosyl)-D-ribitol | C30H45N6O16P

1-[4-({(1R)-1-[(7S)-2-Amino-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-ribitol

  • Molecular FormulaC30H45N6O16P
  • Average mass776.683 Da
  • Monoisotopic mass776.262939 Da
  • ChemSpider ID4573696
  • defined stereocentres - 10 of 11 defined stereocentres


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

1-[4-({(1R)-1-[(7S)-2-Amino-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-ribitol [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-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-ribitol [German] [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-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-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-[4-[[(1R)-1-[(7S)-2-amino-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl]ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]- [ACD/Index Name]
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphonato]-α-D-ribofuranosyl}-D-ribitol
1-(4-{(1R)-1-[(6S,7S)-2-amino-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
5,6,7,8-Tetrahydromethanopterin
92481-94-2 [RN]
H4MPT
Pentitol, 1-(4-((1-(2-amino-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-α-D-ribofuranosyl)-, (16α)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:17321 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1166.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.7±3.0 kJ/mol
Flash Point: 659.5±37.1 °C
Index of Refraction: 1.717
Molar Refractivity: 170.1±0.5 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -8.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 82.3±7.0 dyne/cm
Molar Volume: 432.1±7.0 cm3

Click to predict properties on the Chemicalize site





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