CC7

4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one



Chemical Component Summary

Name4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one
Identifiers4-amino-1-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-one
FormulaC9 H12 N3 O7 P
Molecular Weight305.181
TypeNON-POLYMER
Isomeric SMILESC1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O
InChIInChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
InChIKeyWCPTXJJVVDAEMW-XVFCMESISA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count5
Bond Count34
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 19236
ChEMBL CHEMBL72442
ChEBI CHEBI:17065