Basic information
- CAS
24386-95-6- Standard SMILES
Nc1ncnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
WUHZZVWKGCJQHU-IOSLPCCCSA-N- Molecular formula
- C11H13ClN4O4
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.0625326
Names & identifiers
- Preferred name
- 5-Chlorotubercidin
- IUPAC
- (2R,3R,4S,5R)-2-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
5-Chlorotubercidin24386-95-6RefChem:102409CHEMBL989332-(4-Amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diolNSC 124149SCHEMBL20938332BDBM500908577H-Pyrrolo(2,3-d)pyrimidin-4-amine, 5-chloro-7-beta-D-ribofuranosyl-(2R,3R,4S,5R)-2-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-(4-Amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Show more names
EKH
Database identifiers
- CAS
24386-95-6- PubChem CID
- 97453
- ChEMBL
CHEMBL98933- Nikkaji
- J373.023I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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