ChemSpider 2D Image | 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | C12H18N4O7

5-(2-oxopropylideneamino)-6-D-ribitylaminouracil

  • Molecular FormulaC12H18N4O7
  • Average mass330.294 Da
  • Monoisotopic mass330.117554 Da
  • ChemSpider ID31150565

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydro-4-pyrimidinyl}amino)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropyliden)amino]-1,2,3,6-tetrahydro-4-pyrimidinyl}amino)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidène)amino]-1,2,3,6-tétrahydro-4-pyrimidinyl}amino)-D-ribitol [French] [ACD/IUPAC Name]
5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
D-Ribitol, 1-deoxy-1-[[1,2,3,6-tetrahydro-2,6-dioxo-5-[[(1E)-2-oxopropylidene]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
1610526-18-5 [RN]
1-deoxy-1-({2,6-dioxo-5-[(EE)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
5-(2-oxopropylideneamino)-6-(D-ribitylamino)uracil
5-OP-RU
64680-84-8 [RN]
  • Miscellaneous

    • Chemical Class:

      An aminouracil that is <stereo>D</stereo>-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino)uracil. Unstable mucosal-associated i nvariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-<stereo>D</stereo>-ribitylaminouracil and methylglyoxal. ChEBI CHEBI:78398
      An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino)uracil. Unstable mucosal-associated i; nvariant T (MAI T)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and methylglyoxal. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78398
      An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT) -activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and methylglyoxal. ChEBI CHEBI:78398

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.28
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 196.3±7.0 cm3

Click to predict properties on the Chemicalize site


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