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D-azidotyrosine CHA salt

HCID 178708293
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Basic information

CAS
1286670-85-6
Standard SMILES
NC1CCCCC1.[N-]=[N+]=N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIKey
PECAJFBOSJLEIM-DDWIOCJRSA-N
Molecular formula
C15H22N4O3
Average molar mass
306.36 g/mol
Monoisotopic mass
306.16919058

Names & identifiers

Preferred name
D-azidotyrosine CHA salt
IUPAC
(2R)-2-azido-3-(4-hydroxyphenyl)propanoic acid;cyclohexanamine
English name
D-azidotyrosine CHA salt
Molecular formula
C15H22N4O3
Molecular weight
306.37

Names & synonyms

D-azidotyrosine CHA salt1286670-85-6Cyclohexanamine (R)-2-azido-3-(4-hydroxyphenyl)propanoate(2R)-2-azido-3-(4-hydroxyphenyl)propanoic acid;cyclohexanamineN3-D-Tyr-OH.CHAcyclohexanaminium (R)-2-azido-3-(4-hydroxyphenyl)propanoate

Database identifiers

CAS
1286670-85-6
PubChem CID
112756110

Properties

Computed structural propertiesFilling in

Topological polar surface area
97.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
314

Physicochemical properties

HS Code
9999999999 · 9999999999

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

hs_code
9999999999

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Compound notes

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