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5-PAHSA-[d9]

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General Information
Catalog: BLP-011234
CAS: 1809226-17-2
Molecular Formula: C34H57D9O4
Molecular Weight: 547.94

Chemical Structure

Synonyms	5-[((13,13,14,14,15,15,16,16,16-d9)palmitoyl)hydroxy]-stearic acid; 5-PAHSA-d9
IUPAC Name	5-(13,13,14,14,15,15,16,16,16-nonadeuteriohexadecanoyloxy)octadecanoic acid
Related CAS	1481636-41-2 (unlabelled)
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)O
InChI	InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/i1D3,3D2,5D2,7D2
InChI Key	QBGKCWKQYJQHJX-NPNXCVMYSA-N
Boiling Point	619.2±38.0 °C at 760 mmHg
Purity	99% by CP; 99% atom D
Density	0.9±0.1 g/cm3
Storage	Store at -20°C