5'-O-thymidyl 3'-O-thymidylphosphate
Basic information
- CAS
84332-64-9- Standard SMILES
Cc1cn(C2CC(O)C(COP(O)(=[18O])OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O)O2)c(=O)[nH]c1=O- InChIKey
IFAYVBVXOVCLSE-XDYOORFHSA-N- Molecular formula
- C20H27N4O12P
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 548.1405543
Overview
RN given refers to (18)O-labeled (R)-isomer from first source; cpd not in Chemline 8/1/83
Names & identifiers
- Preferred name
- 5'-O-thymidyl 3'-O-thymidylphosphate
- IUPAC
- bis[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
- English name
- 5'-O-thymidyl 3'-O-thymidylphosphate
- Molecular formula
- C20H27N4O12P
- Molecular weight
- 549.448741
Names & synonyms
5'-O-Thymidyl 3'-O-thymidylphosphate84332-64-9RefChem:100858bis[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
Database identifiers
- CAS
84332-64-9- PubChem CID
- 196277
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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