1U0

2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate



Chemical Component Summary

Name2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
Identifiers2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3-methyl-thiophen-2-yl]ethyl phosphono hydrogen phosphate
FormulaC15 H23 N3 O9 P2 S
Molecular Weight483.37
TypeNON-POLYMER
Isomeric SMILESCc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H23N3O9P2S/c1-8-11(5-10-6-17-9(2)18-15(10)16)14(12(20)7-19)30-13(8)3-4-26-29(24,25)27-28(21,22)23/h6,12,19-20H,3-5,7H2,1-2H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/t12-/m1/s1
InChIKeyAZNRIYLXMXTRTE-GFCCVEGCSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count54
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 71660649