Thymidylyl-(3'-5')-deoxycytidine
Basic information
- CAS
5178-19-8- Standard SMILES
Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
JOORWUINAFDIEP-SWTKMSQOSA-N- Molecular formula
- C19H26N5O11P
- Average molar mass
- 531.4 g/mol
- Monoisotopic mass
- 531.13664366
Overview
5'-d[TC]-3' is a single-strand DNA oligonucleotide consisting of a thymidine residue phospho-linked 3'5' to a deoxycytidine residue (PDB entry: 2OK0).
Names & identifiers
- Preferred name
- Thymidylyl-(3'-5')-deoxycytidine
- IUPAC
- [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- English name
- thymidylyl-(3'-5')-deoxycytidine
- Molecular formula
- C19H26N5O11P
- Molecular weight
- 531.41
Names & synonyms
dTpdC5'-d[TC]-3'CHEBI:75157Thymidylyl-(3'-5')-deoxycytidine5178-19-8Thymidylyl-3',5',2'-deoxycytidine2'-Deoxycytidylyl-(3',5')-thymidylic(5')acidTpdC5'dTdC3'Epitope ID:1910375'-d(*tp*c)-3'SCHEMBL29363605
Show more names
Cytidine, thymidylyl-(3'→5')-2'-deoxy-Thymidylyl (3',5')-2'-deoxycytidine,sodium salt5′-Adenylic acid, homopolymer, potassium salt (9CI, ACI)
DTXSID601292753thymidylyl-(3'-5')-2'-deoxycytidine2'-deoxycytidylyl-(5'->3')-thymidineThymidine, 2'-deoxycytidylyl-(5'-3')-Thymidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidine[3']thymidylic acid-(2'-deoxycytidin-5'-yl ester)Q27145150[(2R,3S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxyoxolan-2-yl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl hydrogen phosphate
Database identifiers
- CAS
5178-19-8
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.50(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 5'-d[TC]-3' is a single-strand DNA oligonucleotide consisting of a thymidine residue phospho-linked 3'->5' to a deoxycytidine residue (PDB entry: 2OK0).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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