Basic information
- CAS
16754-83-9- Standard SMILES
OC[C@H]1O[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O- InChIKey
AAVNIPCGOZFQJG-TURQNECASA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.0906059
Overview
minor descriptor (76-84); on-line & Index Medicus search TUBERCIDIN/AA (76-84)
Names & identifiers
- Preferred name
- 7-Deazanebularin
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
Names & synonyms
7-Deazanebularin16754-83-97 deazanebularinRefChem:1059847-DeazanebularineNebularine, 7-deaza-7-(beta-D-Ribofuranosyl)pyrrolo(2,3-d)pyrimidineNSC 1075197-(beta-d-ribofuranosyl)pyrrolo[2,3-d]pyrimidine7H-Pyrrolo(2,3-d)pyrimidine, 7-beta-D-ribofuranosyl-7H-Pyrrolo[2,3-d]pyrimidine, 7-beta-D-ribofuranosyl-7beta-D-Ribofuranosylpyrrolo-(2,3-d)pyrimidine
Show more names
Pyrrolo(4,3-d)-pyrimidine-3-beta-D ribofuranoside7-beta-D-Ribofuranosyl-7H-pyrrolo-(2,3-d)pyrimidineSCHEMBL5508294(2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yl-tetrahydrofuran-3,4-diol
Database identifiers
- CAS
16754-83-9- PubChem CID
- 97235
- Nikkaji
- J373.014J
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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