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Search term: WTMBWYHMZCVPRJ-WJBIZLLUSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[4-({(1R)-1-[(7S)-2-Amino-7-methyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-alpha-D-ribofuranosyl)-D-ribitol | C30H40N6O16P

1-[4-({(1R)-1-[(7S)-2-Amino-7-methyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol

  • Molecular FormulaC30H40N6O16P
  • Average mass771.645 Da
  • Monoisotopic mass771.225464 Da
  • ChemSpider ID28639123

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-[4-({(1R)-1-[(7S)-2-Amino-7-methyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-7-methyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl]ethyl}amino)phenyl]-1-desoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol [German] [ACD/IUPAC Name]
1-[4-({(1R)-1-[(7S)-2-Amino-7-méthyl-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl]éthyl}amino)phényl]-1-désoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitolato(3-), 1-[4-[[(1R)-1-[(7S)-2-amino-3,4,7,8-tetrahydro-7-methyl-4-oxo-6-pteridinyl]ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]- , ion(3-) [ACD/Index Name]
1-[4-({(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol
7,8-Dihydromethanopterin
7,8-dihydromethanopterin(3-)
DHMPT(3-)
dihydromethanopterin(3-)
H2MPT(3-)
  • Miscellaneous

    • Chemical Class:

      A carboxylic acid trianion resulting from the deprotonation of the phosphate group and both carboxy groups of 7,8-dihydromethanopterin. The major species at pH 7.3. ChEBI CHEBI:72788

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.88
ACD/LogD (pH 5.5): -8.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 372 Å2
Polarizability:
Surface Tension:
Molar Volume:

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