ChemSpider 2D Image | 5-amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione | C16H22N4O7

5-amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione

  • Molecular FormulaC16H22N4O7
  • Average mass382.368 Da
  • Monoisotopic mass382.148834 Da
  • ChemSpider ID34999856

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-{(E)-[5-Amino-5-(4-hydroxybenzyl)-2,6-dioxotetrahydro-4(1H)-pyrimidinyliden]amino}-1-desoxy-D-ribitol [German] [ACD/IUPAC Name]
1-{(E)-[5-Amino-5-(4-hydroxybenzyl)-2,6-dioxotetrahydro-4(1H)-pyrimidinylidene]amino}-1-deoxy-D-ribitol [ACD/IUPAC Name]
1-{(E)-[5-Amino-5-(4-hydroxybenzyl)-2,6-dioxotétrahydro-4(1H)-pyrimidinylidène]amino}-1-désoxy-D-ribitol [French] [ACD/IUPAC Name]
5-amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione
D-Ribitol, 1-[[(4E)-5-aminotetrahydro-5-[(4-hydroxyphenyl)methyl]-2,6-dioxo-4(1H)-pyrimidinylidene]amino]-1-deoxy- [ACD/Index Name]
1-({5-amino-5-[(4-hydroxyphenyl)methyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl}amino)-1-deoxy-D-ribitol
5-amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrimidones that is 5,6-diamino-5-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione in which the imino hydrogen at position 6 is replaced by a <stereo>D</stereo>-ribityl group. ChEBI CHEBI:85936
      A member of the class of pyrimidones that is 5,6-diamino-5-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione in which the imino hydrogen at position 6 is replaced by a D-ribityl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85936, CHEBI:85936

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: 1.697
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 198 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 230.3±7.0 cm3

Click to predict properties on the Chemicalize site


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