9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-(oxan-2-yloxy)oxolan-2-yl]methoxy]-1,3,5,7-tetrakis(oxidanylidene)-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoranyl-4-(oxan-2-yloxy)oxolan-2-yl]purin-6-amine

Systemtic Name: 9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-(oxan-2-yloxy)oxolan-2-yl]methoxy]-1,3,5,7-tetrakis(oxidanylidene)-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoranyl-4-(oxan-2-yloxy)oxolan-2-yl]purin-6-amine Openeye Name: 9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]methoxy]-1,3,5,7-tetraoxo-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoro-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]purin-6-amine CAS Name: 9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-(2-oxanyloxy)-2-oxolanyl]methoxy]-1,3,5,7-tetraoxo-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoro-4-(2-oxanyloxy)-2-oxolanyl]-6-purinamine IUPAC Name: 9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-(oxan-2-yloxy)oxolan-2-yl]methoxy]-1,3,5,7-tetraoxo-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoro-4-(oxan-2-yloxy)oxolan-2-yl]purin-6-amine Traditional Name: [9-[(2R,3S,4R,5R)-5-[[3-[[(2R,3R,4S,5R)-5-adenin-9-yl-4-fluoro-3-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]methoxy]-1,3,5,7-tetraketo-2,6,9-trioxa-1$l^{5},3$l^{5},5$l^{5},7$l^{5}-tetraphosphabicyclo[3.3.1]nonan-7-yl]oxymethyl]-3-fluoro-4-tetrahydropyran-2-yloxy-tetrahydrofuran-2-yl]purin-6-yl]amine Formula: C32H42F2N10O15P4 MolecularWeight: 968.62573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2C(OC(C2F)N3C=NC4=C3N=CN=C4N)COP5(=O)CP6(=O)OP(=O)(O5)CP(=O)(O6)OCC7C(C(C(O7)N8C=NC9=C8N=CN=C9N)F)OC1CCCCO1

Isomeric SMILES

C1CCOC(C1)O[C@@H]2[C@H](O[C@H]([C@H]2F)N3C=NC4=C3N=CN=C4N)COP5(=O)CP6(=O)OP(=O)(O5)CP(=O)(O6)OC[C@@H]7[C@H]([C@@H]([C@@H](O7)N8C=NC9=C8N=CN=C9N)F)OC1CCCCO1

InChI

InChI=1S/C32H42F2N10O15P4/c33-21-25(55-19-5-1-3-7-49-19)17(53-31(21)43-13-41-23-27(35)37-11-39-29(23)43)9-51-60(45)15-62(47)58-61(46,16-63(48,57-60)59-62)52-10-18-26(56-20-6-2-4-8-50-20)22(34)32(54-18)44-14-42-24-28(36)38-12-40-30(24)44/h11-14,17-22,25-26,31-32H,1-10,15-16H2,(H2,35,37,39)(H2,36,38,40)/t17-,18-,19?,20?,21+,22+,25-,26-,31-,32-,60?,61?,62?,63?/m1/s1