Molecule ID: 29922751

IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphinate

Description: The molecule is a organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of cidofovir. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a member of cidofovir anhydrous. It is a conjugate acid of a cidofovir(2-).

SMILES: N=c1ccn(C[C@@H](CO)OCP(=O)(O)O)c([O-])n1

SELFIES: [N][=C][C][=C][N][Branch1][P][C][C@@H1][Branch1][Ring1][C][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O-1][=N][Ring1][P]

InChI: InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: -3.7