Molecule ID: 91826561

IUPAC Name: [(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate

Description: The molecule is a single-stranded DNA oligonucleotide composed of five deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages and terminated by 3'- and 5'-phosphate groups.

SMILES: Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COP(=O)(O)O)O2)c(=O)nc1O

SELFIES: [C][C][=C][N][Branch2][N][=Branch2][C@H1][C][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch2][O][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring2][#Branch1][S][C][=Branch1][C][=O][N][=C][Ring2][Branch2][#Branch1][O]

InChI: InChI=1S/C50H68N10O39P6/c1-21-11-56(46(66)51-41(21)61)36-6-26(95-101(74,75)76)32(91-36)17-86-102(77,78)97-28-8-38(58-13-23(3)43(63)53-48(58)68)93-34(28)19-88-104(81,82)99-30-10-40(60-15-25(5)45(65)55-50(60)70)94-35(30)20-89-105(83,84)98-29-9-39(59-14-24(4)44(64)54-49(59)69)92-33(29)18-87-103(79,80)96-27-7-37(90-31(27)16-85-100(71,72)73)57-12-22(2)42(62)52-47(57)67/h11-15,26-40H,6-10,16-20H2,1-5H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,51,61,66)(H,52,62,67)(H,53,63,68)(H,54,64,69)(H,55,65,70)(H2,71,72,73)(H2,74,75,76)/t26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+/m0/s1

Molecular Properties:
- Polar Surface Area: 650.0 Ų
- LogP: -10.1