Basic information
- CAS
18440-68-1- Standard SMILES
COC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12- InChIKey
CEZTWGUUIVXSPB-UHFFFAOYSA-N- Molecular formula
- C13H16N4O6
- Average molar mass
- 324.29 g/mol
- Monoisotopic mass
- 324.10698424
Names & identifiers
- Preferred name
- Methyl 4-amino-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
5-Methoxycarbonyltubercidinmethyl 4-amino-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylateDTXSID10939832CEZTWGUUIVXSPB-UHFFFAOYSA-NNSC116279NSC-1162797H-Pyrrolo[2, 4-amino-7-beta-D-ribofuranosyl-, methyl ester7H-Pyrrolo[2, 4-amino-7-.beta.-D-ribofuranosyl-, methyl ester
Database identifiers
- CAS
18440-68-1- PubChem CID
- 272091
- DTXSID
DTXSID10939832
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…