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Search term: RQRINYISXYAZKL-RPDRRWSUSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | 1-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-1-deoxy-5-O-phosphonato-D-ribitol | C9H15N4O9P

1-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-1-deoxy-5-O-phosphonato-D-ribitol

  • Molecular FormulaC9H15N4O9P
  • Average mass354.212 Da
  • Monoisotopic mass354.058746 Da
  • ChemSpider ID26331169
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-1-deoxy-5-O-phosphonato-D-ribitol [ACD/IUPAC Name]
1-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-1-desoxy-5-O-phosphonato-D-ribitol [German] [ACD/IUPAC Name]
1-[(5-Amino-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]-1-désoxy-5-O-phosphonato-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-[(5-amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)amino]-1-deoxy-, 5-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-D-ribitol 5-phosphate
1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-D-ribitol 5-phosphate; 1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphonato-D-ribitol
1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphonato-D-ribitol
5-amino-6-(5-phospho-D-ribitylamino)uracil
5-amino-6-(5-phosphoribitylamino)uracil(2-)
  • Miscellaneous
    • Chemical Class:

      Dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups. ChEBI CHEBI:58421

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -8.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability:
Surface Tension:
Molar Volume:

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