3'-O-(5'-Dimethoxytritylthymidyl)-5'-O-(3'-camphanoylthymidyl)-O-methyl phosphite
Basic information
- CAS
144674-88-4- Standard SMILES
COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2OP(OC)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
YWFDZPZDPCCHRB-UHFFFAOYSA-N- Molecular formula
- C52H59N4O16P
- Average molar mass
- 1,027 g/mol
- Monoisotopic mass
- 1,026.3663688
Names & identifiers
- Preferred name
- 3'-O-(5'-Dimethoxytritylthymidyl)-5'-O-(3'-camphanoylthymidyl)-O-methyl phosphite
- IUPAC
- [2-[[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
- English name
- 3'-O-(5'-dimethoxytritylthymidyl)-5'-O-(3'-camphanoylthymidyl)-O-methyl phosphite
- Molecular formula
- C52H59N4O16P
- Molecular weight
- 1027.02
Names & synonyms
3-Dttctp144674-88-43'-O-(5'-Dimethoxytritylthymidyl)-5'-O-(3'-camphanoylthymidyl)-O-methyl phosphiteRefChem:90478Thymidine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-deoxy-P(O)-methylthymidylyl-(3'-5')-, 3'-(4,7,7-trimethyl-3-oxo-2-oxabicyclo(2.2.1)heptane-1-carboxylate), (1S-(1alpha(R*),4beta))-Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-P-deoxo-P(O)-methylthymidylyl-(3'→5')-, 3'-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate), [1S-[1α(R*),4β]]- (9CI)
Database identifiers
- CAS
144674-88-4- PubChem CID
- 3083403
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 19
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 2,150
Physicochemical properties
- pka
- 9.638 · 9.638±0.10(predicted)
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Compound notes
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