8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one

C165H256BrClFIN40O40P10S6 — CID 161370231

About 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one

8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one (PubChem CID 161370231) has the molecular formula C165H256BrClFIN40O40P10S6 and a molecular weight of 4203.50 g/mol. Its IUPAC name is 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one.

Molecular Properties

• Compound Name: 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one
• PubChem CID: 161370231
• Molecular Formula: C165H256BrClFIN40O40P10S6
• Molecular Weight: 4203.50 g/mol
• Exact Mass: 4199.28
• IUPAC Name: 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one
• SMILES: C=P(C)(C)CC[C@H]1OC(n2c(=S)[nH]c3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Br)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Cl)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(F)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(I)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C20H33N4O4PS.C19H31N4O4PS.C18H29N4O4PS.C17H27N4O4PS.C16H25N4O4PS.C15H22BrN4O4P.C15H22ClN4O4P.C15H22FN4O4P.C15H22IN4O4P.C15H23N4O4PS/c1-6-7-8-11-30-20-23-14-17(21-12(2)22-18(14)27)24(20)19-16(26)15(25)13(28-19)9-10-29(3,4)5;1-6-7-10-29-19-22-13-16(20-11(2)21-17(13)26)23(19)18-15(25)14(24)12(27-18)8-9-28(3,4)5;1-6-9-28-18-21-12-15(19-10(2)20-16(12)25)22(18)17-14(24)13(23)11(26-17)7-8-27(3,4)5;1-6-27-17-20-11-14(18-9(2)19-15(11)24)21(17)16-13(23)12(22)10(25-16)7-8-26(3,4)5;1-8-17-13-10(14(23)18-8)19-16(26-5)20(13)15-12(22)11(21)9(24-15)6-7-25(2,3)4;4*1-7-17-12-9(13(23)18-7)19-15(16)20(12)14-11(22)10(21)8(24-14)5-6-25(2,3)4;1-7-16-12-9(13(22)17-7)18-15(25)19(12)14-11(21)10(20)8(23-14)5-6-24(2,3)4/h13,15-16,19,25-26H,3,6-11H2,1-2,4-5H3,(H,21,22,27);12,14-15,18,24-25H,3,6-10H2,1-2,4-5H3,(H,20,21,26);11,13-14,17,23-24H,3,6-9H2,1-2,4-5H3,(H,19,20,25);10,12-13,16,22-23H,3,6-8H2,1-2,4-5H3,(H,18,19,24);9,11-12,15,21-22H,2,6-7H2,1,3-5H3,(H,17,18,23);4*8,10-11,14,21-22H,2,5-6H2,1,3-4H3,(H,17,18,23);8,10-11,14,20-21H,2,5-6H2,1,3-4H3,(H,18,25)(H,16,17,22)/t13-,15-,16-,19?;12-,14-,15-,18?;11-,13-,14-,17?;10-,12-,13-,16?;9-,11-,12-,15?;5*8-,10-,11-,14?/m1111111111/s1
• InChIKey: VQJGFFSQHCYOOR-UJBAHJSLSA-N
• XLogP: 11.80
• TPSA: 1135.50 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 75
• Rotatable Bonds: 55
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4203.50
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one?

The IUPAC name of 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one (CID 161370231) is 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one.

What is the SMILES notation for 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one?

The canonical SMILES for 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one is C=P(C)(C)CC[C@H]1OC(n2c(=S)[nH]c3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Br)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Cl)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(F)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(I)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCCCCC)nc3c(=O)[nH]c(C)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one?

The InChIKey is VQJGFFSQHCYOOR-UJBAHJSLSA-N. The full InChI is InChI=1S/C20H33N4O4PS.C19H31N4O4PS.C18H29N4O4PS.C17H27N4O4PS.C16H25N4O4PS.C15H22BrN4O4P.C15H22ClN4O4P.C15H22FN4O4P.C15H22IN4O4P.C15H23N4O4PS/c1-6-7-8-11-30-20-23-14-17(21-12(2)22-18(14)27)24(20)19-16(26)15(25)13(28-19)9-10-29(3,4)5;1-6-7-10-29-19-22-13-16(20-11(2)21-17(13)26)23(19)18-15(25)14(24)12(27-18)8-9-28(3,4)5;1-6-9-28-18-21-12-15(19-10(2)20-16(12)25)22(18)17-14(24)13(23)11(26-17)7-8-27(3,4)5;1-6-27-17-20-11-14(18-9(2)19-15(11)24)21(17)16-13(23)12(22)10(25-16)7-8-26(3,4)5;1-8-17-13-10(14(23)18-8)19-16(26-5)20(13)15-12(22)11(21)9(24-15)6-7-25(2,3)4;4*1-7-17-12-9(13(23)18-7)19-15(16)20(12)14-11(22)10(21)8(24-14)5-6-25(2,3)4;1-7-16-12-9(13(22)17-7)18-15(25)19(12)14-11(21)10(20)8(23-14)5-6-24(2,3)4/h13,15-16,19,25-26H,3,6-11H2,1-2,4-5H3,(H,21,22,27);12,14-15,18,24-25H,3,6-10H2,1-2,4-5H3,(H,20,21,26);11,13-14,17,23-24H,3,6-9H2,1-2,4-5H3,(H,19,20,25);10,12-13,16,22-23H,3,6-8H2,1-2,4-5H3,(H,18,19,24);9,11-12,15,21-22H,2,6-7H2,1,3-5H3,(H,17,18,23);4*8,10-11,14,21-22H,2,5-6H2,1,3-4H3,(H,17,18,23);8,10-11,14,20-21H,2,5-6H2,1,3-4H3,(H,18,25)(H,16,17,22)/t13-,15-,16-,19?;12-,14-,15-,18?;11-,13-,14-,17?;10-,12-,13-,16?;9-,11-,12-,15?;5*8-,10-,11-,14?/m1111111111/s1.

What are the key properties of 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one?

8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one has a molecular weight of 4203.50 g/mol, XLogP of 11.80, 55 rotatable bonds, 31 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-butylsulfanyl-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethylsulfanyl-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-methylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-pentylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propylsulfanyl-1H-purin-6-one;9-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-sulfanylidene-1,7-dihydropurin-6-one is sourced from PubChem (CID 161370231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).