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Chemical structure of Heptadecanoic acid-d33

GC69220

Heptadecanoic acid-d33

Also known as 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontadeuterioheptadecanoic acid

Heptadecanoic acid-d33 is the deuterated form of Heptadecanoic acid· Heptadecanoic acid is an odd-chain saturated fatty acid (OCS-FA)· Heptadecanoic acid is associated with several diseases, including coronary heart disease, prediabetes and type 2 diabetes, as well as multiple sclerosis

ChemicalCAS352431-41-5MW303.65FormulaC17HD33O2
CAS number
352431-41-5
Molecular weight
303.65
Formula
C17HD33O2
Solubility
DMSO : 100 mg/mL (329·33 mM; Need ultrasonic); H2O : ≥ 0·1 mg/mL (0·33 mM)
InChIKey
KEMQGTRYUADPNZ-TUWMXWROSA-N
Catalogue number
GC69220
Brand
GLPBIO
Computed properties PubChem CID 102601131 · XLogP 6.9 · TPSA 37.3 Ų · H-bond donors 1
XLogP
6.9
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
15
Heavy atoms
19

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O

Computed descriptors from PubChem (CID 102601131), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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