S1T

2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE



Chemical Component Summary

Name2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
Synonyms2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP
Identifiers2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(1-hydroxyethyl)-3-methyl-thiophen-2-yl]ethyl phosphono hydrogen phosphate
FormulaC15 H23 N3 O8 P2 S
Molecular Weight467.371
TypeNON-POLYMER
Isomeric SMILESCc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1
InChIKeyORVRYSKZCUVOLA-VIFPVBQESA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count2
Bond Count53
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 16758218