Completing data — refresh the page later to see the latest
Basic information
- CAS
137103-31-2- Standard SMILES
Cc1ccnc2c1c(=O)n(Cc1ccccc1)c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
QEXOXVQSTPLAMK-NVQRDWNXSA-N- Molecular formula
- C20H21N3O6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.1430354
Names & identifiers
- Preferred name
- TI 79
- IUPAC
- 3-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrido[2,3-d]pyrimidine-2,4-dione
- English name
- TI 79
- Molecular formula
- C20H21N3O6
- Molecular weight
- 399.39724
Names & synonyms
TI 79137103-31-2TI-79DTXSID00160077Pyrido(2,3-d)pyrimidine-2,4(1H,3H)-dione, 5-methyl-3-(phenylmethyl)-1-beta-D-ribofuranosyl-RefChem:189919DTXCID1082568SCHEMBL299934573-Benzyl-5-methyl-3-(beta-ribofuranosyl)pyrido(2,3-d)pyrimidine-2,4(1H,3H)dione3-Benzyl-5-methyl-1-beta-D-ribofuranosylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
137103-31-2- PubChem CID
- 196887
- DTXSID
DTXSID00160077
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…