Thymidine, 2',3'-didehydro-3'-deoxy-5'-O-(8-methoxy-2-oxido-4H-1,3,2-benzodioxaphosphorin-2-yl)-
Basic information
- CAS
201165-99-3- Standard SMILES
COc1cccc2c1OP(=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2- InChIKey
FMJGZLFHGBFKTH-BUEPIDKJSA-N- Molecular formula
- C18H19N2O8P
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.08790257
Names & identifiers
- Preferred name
- Thymidine, 2',3'-didehydro-3'-deoxy-5'-O-(8-methoxy-2-oxido-4H-1,3,2-benzodioxaphosphorin-2-yl)-
- IUPAC
- 1-[(2R,5S)-5-[(8-methoxy-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3-OMe-CycloSal-d4TMP201165-99-3Thymidine, 2',3'-didehydro-3'-deoxy-5'-O-(8-methoxy-2-oxido-4H-1,3,2-benzodioxaphosphorin-2-yl)-cyclo-(3-Methoxysaligenyl)-5'-O-(2',3'-dideoxy-2',3'-didehydrothymidinyl)phosphate1-[(2R,5S)-5-[(8-methoxy-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dioneThymidine, 2',3'-didehydro-3'-deoxy-5'-O-(8-methoxy-2-oxido-4H-1,3,2-benzodioxaphosphorin-2-yl)- (9CI)
Database identifiers
- CAS
201165-99-3- PubChem CID
- 451504
- Nikkaji
- J945.872G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 784
Experimental & physicochemical properties
LogP0.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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