[(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate

C136H202F2N30O95P12S2 — CID 162082245

About [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate

[(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate (PubChem CID 162082245) has the molecular formula C136H202F2N30O95P12S2 and a molecular weight of 4251.04 g/mol. Its IUPAC name is [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
• PubChem CID: 162082245
• Molecular Formula: C136H202F2N30O95P12S2
• Molecular Weight: 4251.04 g/mol
• Exact Mass: 4248.82
• IUPAC Name: [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
• SMILES: CC(=O)OC[C@@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@@]2(F)O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(OC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)OC[C@@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@@]2(F)O[C@@H](n3cnc4c(N)ncnc43)[C@H]3OC(C)(C)OC32)C(OC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)OC[C@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(OC(C)=O)[C@@H](C)[C@@H]1C.CCC1O[C@@H](OP(=O)(O)OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OC(C)=O)C2OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2OC([C@@H](O)CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O
• InChI: InChI=1S/C28H40FN5O17P2.C25H36FN5O17P2.C25H37N5O17P2.C25H37N5O14P2S.C17H27N5O16P2.C16H25N5O14P2S/c1-12-13(2)20(45-16(5)37)26(46-19(12)17(44-15(4)36)8-42-14(3)35)50-53(40,41)51-52(38,39)43-9-28(29)22-21(47-27(6,7)48-22)25(49-28)34-11-33-18-23(30)31-10-32-24(18)34;1-10-11(2)19(44-14(5)34)24(45-18(10)15(43-13(4)33)6-41-12(3)32)47-50(39,40)48-49(37,38)42-7-25(26)20(36)17(35)23(46-25)31-9-30-16-21(27)28-8-29-22(16)31;1-10-11(2)21(43-14(5)33)25(45-20(10)16(42-13(4)32)6-40-12(3)31)46-49(38,39)47-48(36,37)41-7-15-18(34)19(35)24(44-15)30-9-29-17-22(26)27-8-28-23(17)30;1-7-16-11(2)12(3)19(38-13(4)31)25(42-16)43-45(34,35)44-46(36,47)37-8-17-20(39-14(5)32)21(40-15(6)33)24(41-17)30-10-29-18-22(26)27-9-28-23(18)30;18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23;17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(32-15)2-31-37(30,38)35-36(28,29)34-16-12(27)10(25)8(23)5(1-22)33-16/h10-13,17,19-22,25-26H,8-9H2,1-7H3,(H,38,39)(H,40,41)(H2,30,31,32);8-11,15,17-20,23-24,35-36H,6-7H2,1-5H3,(H,37,38)(H,39,40)(H2,27,28,29);8-11,15-16,18-21,24-25,34-35H,6-7H2,1-5H3,(H,36,37)(H,38,39)(H2,26,27,28);9-12,16-17,19-21,24-25H,7-8H2,1-6H3,(H,34,35)(H,36,47)(H2,26,27,28);3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20);3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,38)(H2,17,18,19)/t12-,13-,17+,19?,20?,21-,22?,25+,26-,28+;10-,11-,15+,17-,18?,19?,20?,23+,24-,25+;10-,11-,15+,16-,18?,19-,20?,21?,24+,25-;11-,12-,16?,17+,19?,20?,21-,24+,25-,46?;5-,6+,8?,9-,10-,11-,12?,13?,16+,17-;5?,6-,8-,9?,10+,11+,12?,15-,16+,37?/m000001/s1
• InChIKey: ZCMLDHHBNISUQX-WJFLDUCHSA-N
• XLogP: -4.99
• TPSA: 1786.05 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 115
• Rotatable Bonds: 70
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4251.04
LogP ≤ 5	-4.99
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	115

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?

The IUPAC name of [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate (CID 162082245) is [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate.

What is the SMILES notation for [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?

The canonical SMILES for [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate is CC(=O)OC[C@@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@@]2(F)O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(OC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)OC[C@@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@@]2(F)O[C@@H](n3cnc4c(N)ncnc43)[C@H]3OC(C)(C)OC32)C(OC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)OC[C@H](OC(C)=O)C1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(OC(C)=O)[C@@H](C)[C@@H]1C.CCC1O[C@@H](OP(=O)(O)OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](OC(C)=O)C2OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2OC([C@@H](O)CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O.

What is the InChIKey of [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?

The InChIKey is ZCMLDHHBNISUQX-WJFLDUCHSA-N. The full InChI is InChI=1S/C28H40FN5O17P2.C25H36FN5O17P2.C25H37N5O17P2.C25H37N5O14P2S.C17H27N5O16P2.C16H25N5O14P2S/c1-12-13(2)20(45-16(5)37)26(46-19(12)17(44-15(4)36)8-42-14(3)35)50-53(40,41)51-52(38,39)43-9-28(29)22-21(47-27(6,7)48-22)25(49-28)34-11-33-18-23(30)31-10-32-24(18)34;1-10-11(2)19(44-14(5)34)24(45-18(10)15(43-13(4)33)6-41-12(3)32)47-50(39,40)48-49(37,38)42-7-25(26)20(36)17(35)23(46-25)31-9-30-16-21(27)28-8-29-22(16)31;1-10-11(2)21(43-14(5)33)25(45-20(10)16(42-13(4)32)6-40-12(3)31)46-49(38,39)47-48(36,37)41-7-15-18(34)19(35)24(44-15)30-9-29-17-22(26)27-8-28-23(17)30;1-7-16-11(2)12(3)19(38-13(4)31)25(42-16)43-45(34,35)44-46(36,47)37-8-17-20(39-14(5)32)21(40-15(6)33)24(41-17)30-10-29-18-22(26)27-9-28-23(18)30;18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23;17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(32-15)2-31-37(30,38)35-36(28,29)34-16-12(27)10(25)8(23)5(1-22)33-16/h10-13,17,19-22,25-26H,8-9H2,1-7H3,(H,38,39)(H,40,41)(H2,30,31,32);8-11,15,17-20,23-24,35-36H,6-7H2,1-5H3,(H,37,38)(H,39,40)(H2,27,28,29);8-11,15-16,18-21,24-25,34-35H,6-7H2,1-5H3,(H,36,37)(H,38,39)(H2,26,27,28);9-12,16-17,19-21,24-25H,7-8H2,1-6H3,(H,34,35)(H,36,47)(H2,26,27,28);3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20);3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,38)(H2,17,18,19)/t12-,13-,17+,19?,20?,21-,22?,25+,26-,28+;10-,11-,15+,17-,18?,19?,20?,23+,24-,25+;10-,11-,15+,16-,18?,19-,20?,21?,24+,25-;11-,12-,16?,17+,19?,20?,21-,24+,25-,46?;5-,6+,8?,9-,10-,11-,12?,13?,16+,17-;5?,6-,8-,9?,10+,11+,12?,15-,16+,37?/m000001/s1.

What are the key properties of [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?

[(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 4251.04 g/mol, XLogP of -4.99, 70 rotatable bonds, 35 hydrogen bond donors, and 115 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(3S,4S,6S)-6-[[[(4S,6R,6aS)-6-(6-aminopurin-9-yl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]-2-acetyloxyethyl] acetate;[(2S)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[(2R)-2-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-6-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dimethyloxan-2-yl]ethyl] acetate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate;[(2S,4S,5S)-2-[[[(2R,4S,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 162082245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).