[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl phosphono hydrogen phosphate

Systemtic Name: [(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl phosphono hydrogen phosphate Openeye Name: [(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl phosphono hydrogen phosphate CAS Name: [(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl phosphono hydrogen phosphate IUPAC Name: [(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl phosphono hydrogen phosphate Traditional Name: [(1R,2R,3S,4R)-4-adenin-9-yl-2,3-dihydroxy-cyclopentyl]methyl phosphono hydrogen phosphate Formula: C11H17N5O9P2 MolecularWeight: 425.228302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=CN=C3N)O)O)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H17N5O9P2/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(8(17)9(6)18)2-24-27(22,23)25-26(19,20)21/h3-6,8-9,17-18H,1-2H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,6-,8-,9+/m1/s1