2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[5-[[[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]amino]-5-guanidino-valeric acid Formula: C21H35N9O15P2 MolecularWeight: 715.501422

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)NC(CCCN=C(N)N)C(=O)O)O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)NC(CCCN=C(N)N)C(=O)O)O)O)O)O

InChI

InChI=1S/C21H35N9O15P2/c22-16-11-17(27-6-26-16)30(7-28-11)19-15(34)13(32)10(44-19)5-42-47(39,40)45-46(37,38)41-4-9-12(31)14(33)18(43-9)29-8(20(35)36)2-1-3-25-21(23)24/h6-10,12-15,18-19,29,31-34H,1-5H2,(H,35,36)(H,37,38)(H,39,40)(H2,22,26,27)(H4,23,24,25)