Molecule ID: 192813

IUPAC Name: [(3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate

Description: The molecule is a 2',3'-cyclic pyrimidine nucleotide that is CMP in which the hydroxy groups at the 2' and 3' positions have been converted into the corresponding cyclic phosphate. It is a cytidine 5'-phosphate and a 2',3'-cyclic pyrimidine nucleotide. It derives from a cytidine 5'-monophosphate.

SMILES: N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H]3OP(=O)(O)O[C@H]32)c(O)n1

SELFIES: [N][=C][C][=C][N][Branch2][Ring1][#C][C@@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Ring1][#Branch1][Ring1][S][C][Branch1][C][O][=N][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 190.0 Ų
- LogP: -4.4