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Search term: PLSQMGZYOGSOCE-XINAWCOVSA-L (Found by InChIKey (full match))

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

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

  • Molecular FormulaC9H12N5O7P
  • Average mass333.196 Da
  • Monoisotopic mass333.048523 Da
  • ChemSpider ID26331350
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-2,3-dihydroxypropyl phosphate [ACD/IUPAC Name]
(2R,3S)-3-(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)-2,3-dihydroxypropylphosphat [German] [ACD/IUPAC Name]
4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-7,8-dihydro-, ion(2-) [ACD/Index Name]
Phosphate de (2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
(2R,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl phosphate
2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate
7,8-dihydro-D-neopterin 3'-phosphate
7,8-dihydroneopterin 3'-phosphate
7,8-dihydroneopterin 3'-phosphate(2-)
dihydroneopterin 3'-monophosphate
  • Miscellaneous
    • Chemical Class:

      Dianion of 7,8-dihydroneopterin 3'-phosphate arising from deprotonation of phosphate functions. ChEBI CHEBI:58762

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

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: -4.35
ACD/LogD (pH 5.5): -6.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Surface Tension:
Molar Volume:

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