ChemSpider 2D Image | (1S,2R)-1-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-1,3-dihydroxy-2-propanyl phosphate | C9H12N5O7P

(1S,2R)-1-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-1,3-dihydroxy-2-propanyl phosphate

  • Molecular FormulaC9H12N5O7P
  • Average mass333.196 Da
  • Monoisotopic mass333.048523 Da
  • ChemSpider ID28639118

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-1,3-dihydroxy-2-propanyl phosphate [ACD/IUPAC Name]
(1S,2R)-1-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-1,3-dihydroxy-2-propanylphosphat [German] [ACD/IUPAC Name]
4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,3-dihydroxy-2-(phosphonooxy)propyl]-7,8-dihydro-, ion(2-) [ACD/Index Name]
Phosphate de (1S,2R)-1-(2-amino-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)-1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
(1S,2R)-1-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-1,3-dihydroxypropan-2-yl phosphate
7,8-dihydro-D-neopterin 2'-monophosphate(2-)
7,8-dihydro-D-neopterin 2'-phosphate(2-)
7,8-dihydroneopterin 2'-monophosphate(2-)
7,8-dihydroneopterin 2'-phosphate
7,8-dihydroneopterin 2'-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 7,8-dihydroneopterin 2'-phosphate. ChEBI CHEBI:72777

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: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -6.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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