Cyclaradine-5'-ethoxypropionate
Basic information
- CAS
103353-83-9- Standard SMILES
CCOCCC(=O)OC[C@H]1CC(n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O- InChIKey
KXVBPIWSOPUWMZ-LVYAITMMSA-N- Molecular formula
- C16H23N5O5
- Average molar mass
- 365.38 g/mol
- Monoisotopic mass
- 365.16991885
Overview
structure given in first source
Names & identifiers
- Preferred name
- Cyclaradine-5'-ethoxypropionate
- IUPAC
- [(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl 3-ethoxypropanoate
- English name
- cyclaradine-5'-ethoxypropionate
- Molecular formula
- C16H23N5O5
- Molecular weight
- 365.38432
Names & synonyms
103353-83-9Cyclaradine-5'-ethoxypropionateRefChem:129179[(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl 3-ethoxypropanoateDTXSID60908336[(1R,2R,3R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl 3-ethoxypropanoate[4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl 3-ethoxypropanoate
Database identifiers
- CAS
103353-83-9- PubChem CID
- 128368
- DTXSID
DTXSID60908336
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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