[[(2R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]peroxy-oxidanylidene-[oxidanyl(oxidanylidene)phosphaniumyl]peroxy-phosphanium; 2-azanylethanethiol

Systemtic Name: [[(2R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]peroxy-oxidanylidene-[oxidanyl(oxidanylidene)phosphaniumyl]peroxy-phosphanium; 2-azanylethanethiol Openeye Name: 2-aminoethanethiol; [[(2R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]peroxy-[hydroxy(oxo)phosphaniumyl]peroxy-oxo-phosphonium CAS Name: 2-aminoethanethiol; [[(2R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]dioxy-[hydroxy(oxo)phosphiniumyl]dioxy-oxophosphonium IUPAC Name: 2-aminoethanethiol; [[(2R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-[hydroxy(oxo)phosphaniumyl]peroxy-oxophosphanium Traditional Name: [[(2R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]peroxy-[hydroxy(keto)phosphiniumyl]peroxy-keto-phosphonium; 2-aminoethanethiol Formula: C12H21N6O13P3S+2 MolecularWeight: 582.313823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OO[P+](=O)OO[P+](=O)O)O)O.C(CS)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C([C@H](O3)COP(=O)(O)OO[P+](=O)OO[P+](=O)O)O)O.C(CS)N

InChI

InChI=1S/C10H12N5O13P3.C2H7NS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-31(21,22)28-27-30(20)26-25-29(18)19;3-1-2-4/h2-4,6-7,10,16-17H,1H2,(H2-2,11,12,13,18,19,21,22);4H,1-3H2/p+2/t4-,6?,7?,10?;/m1./s1