Basic information
- CAS
6216-53-1- Standard SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](Cl)[C@@H]2O)c(=O)[nH]1- InChIKey
UCSUZFLOJSMXTE-CCXZUQQUSA-N- Molecular formula
- C9H11ClN2O5
- Average molar mass
- 262.65 g/mol
- Monoisotopic mass
- 262.0356491
Overview
labeled with 36Cl; structure given in first source; RN given refers to unlabeled cpd
Names & identifiers
- Preferred name
- 1-(3'-Chloro-3'-deoxyarabinofuranosyl)uracil
- IUPAC
- 1-[(2R,3R,4S,5R)-4-chloro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
6216-53-13-Cl-Ara-U1-(3'-Chloro-3'-deoxyarabinofuranosyl)uracilRefChem:742191-((2R,3R,4S,5R)-4-Chloro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-(3-chloro-3-deoxy-beta-D-arabinofuranosyl)-NSC 529438
Database identifiers
- CAS
6216-53-1- PubChem CID
- 101508
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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