THYMIDINE-5'-(DITHIO)PHOSPHATE

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 72
Total Number of Articles : 46
PubChem 6858204
Molecular Formula

C10H15N2O6PS2

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)S)O

InChI

InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8+/m0/s1

synonyms
  • THYMIDINE-5'-(DITHIO)PHOSPHATE
  • 1-((2R,4S,5R)-4-hydroxy-5-(((hydroxy(sulfanyl)sulfanylidene-lambda5-phosphanyl)oxy)methyl)oxolan-2-yl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-4-hydroxy-5-({[hydroxy(sulfanyl)sulfanylidene-lambda5-phosphanyl]oxy}methyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
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Properties
Property Value
MW 354.3 g/mol
HBD 4
HBA 8
Rotatable Bond Count 4
Exact Mass 354.01091555 g/mol
Monoisotopic Mass 354.01091555 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 542
xlogp -0.1
Topological Polar Surface Area 141