ChemSpider 2D Image | (1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol | C18H21N6O8P

(1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol

  • Molecular FormulaC18H21N6O8P
  • Average mass480.370 Da
  • Monoisotopic mass480.116943 Da
  • ChemSpider ID28639156

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol [ACD/IUPAC Name]
(1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)méthyl]amino}phényl)-1,4-anhydro-5-O-phosphonato-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitolato(2-), 1-C-[4-[[(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]phenyl]-1,4-anhydro-, 5-(dihydrogen phosphate), ion(2-), (1S)- [ACD/Index Name]
(1S)-1-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate. ChEBI CHEBI:72951

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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