N-[2-(Hexadecanoyloxy)hexadecanoyl]-L-valine

HCID 54524559

Notes Reactions

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Basic information

CAS: 83550-36-1
Standard SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)N[C@H](C(=O)O)C(C)C
InChIKey: YSFFMBPFDFKWQL-XZEQTHJSSA-N
Molecular formula: C37H71NO5
Average molar mass: 610 g/mol
Monoisotopic mass: 609.53322437

Names & identifiers

Preferred name: N-[2-(Hexadecanoyloxy)hexadecanoyl]-L-valine
IUPAC: (2S)-2-(2-hexadecanoyloxyhexadecanoylamino)-3-methylbutanoic acid

Names & synonyms

83550-36-1N-[2-(Hexadecanoyloxy)hexadecanoyl]-L-valineSCHEMBL10800625DTXSID10711953YSFFMBPFDFKWQL-XZEQTHJSSA-NN-(2-hexadecanoyloxyhexadecanoyl)-L-valine

Database identifiers

CAS: 83550-36-1
PubChem CID: 54524559
DTXSID: DTXSID10711953

Properties

Computed structural properties

XLogP: 15
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 33
Heavy atoms: 43
Formal charge: 0
Complexity: 665

Related reactions

3 records

New reaction record

HRID 236482As productuspto-grants-1987_02

HRID 236489As reactantuspto-grants-1987_02

HRID 1903547As productuspto-grants-1984_03

Compound notes

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