5-(6-amino-9H-purin-9-yl)pentanoic acid
Basic information
- CAS
90973-36-7- Standard SMILES
Nc1ncnc2c1ncn2CCCCC(=O)O- InChIKey
HJJJCCCOQLLMQD-UHFFFAOYSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Names & identifiers
- Preferred name
- 5-(6-amino-9H-purin-9-yl)pentanoic acid
- IUPAC
- 5-(6-aminopurin-9-yl)pentanoic acid
- English name
- 5-(6-aminopurin-9-yl)pentanoic acid
- Molecular formula
- C10H13N5O2
- Molecular weight
- 235.24252
Names & synonyms
90973-36-75-(6-amino-9H-purin-9-yl)pentanoic acid5-(6-aminopurin-9-yl)pentanoic acidNSC75749CHEMBL101687NSC-75749NCIStruc1_000502NCIStruc2_000508SCHEMBL6045746DTXSID10291467NCI75749QDA97336
Show more names
BDBM50119820CCG-38210NCGC00013828AKOS0109417635-(6-Amino-purin-9-yl)-pentanoic acidNCGC00013828-02NCGC00096938-015-(6-amino-9H-purin-9-yl)pentanoicacid
Database identifiers
- CAS
90973-36-7- PubChem CID
- 253167
- DTXSID
DTXSID10291467- ChEMBL
CHEMBL101687- Nikkaji
- J777.451F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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