[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl phosphono hydrogen phosphate

Systemtic Name: [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl phosphono hydrogen phosphate Openeye Name: [(1S)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl phosphono hydrogen phosphate CAS Name: [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl phosphono hydrogen phosphate IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl phosphono hydrogen phosphate Traditional Name: [(1S)-2-adenin-9-yl-1-methyl-ethoxy]methyl phosphono hydrogen phosphate Formula: C9H15N5O8P2 MolecularWeight: 383.191622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2N)OCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H15N5O8P2/c1-6(20-5-21-24(18,19)22-23(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,18,19)(H2,10,11,12)(H2,15,16,17)/t6-/m0/s1