Basic information
- CAS
83379-31-1- Standard SMILES
NC(=O)c1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2ncnc(N)c12- InChIKey
QRDBEFVWUAGBMC-JZTMAQHMSA-N- Molecular formula
- C12H15N5O4
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.11240398
Names & identifiers
- Preferred name
- 3'-Deoxysangivamycin
- IUPAC
- 4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Names & synonyms
3'-Deoxysangivamycin83379-31-17H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(3-deoxy-beta-D-erythro-pentofuranosyl)-4-amino-7-(3-deoxy-beta-D-ribofuranosyl)pyrrolo(2,3-d)pyrimidine-5-carboxamideRefChem:90380NSC 295392BRN 56059164-Amino-7-(3-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamideSCHEMBL17374714-Amino-7-(3-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Database identifiers
- CAS
83379-31-1- PubChem CID
- 100417
- Nikkaji
- J373.000J
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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