Molecule ID: 21146529

IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;hydrate

Description: The molecule is a hydrate that is the monohydrate form of anhydrous tenovir. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It contains a tenofovir (anhydrous).

SMILES: C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O.O

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

InChI: InChI=1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: nan