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Chemical structure of 2-Aminohexadecane-1,3-diol

GC43488

2-Aminohexadecane-1,3-diol

Also listed as DL-erythro/threo Sphinganine (d16:0)

DL-erythro/threo Sphinganine (d16:0) is a sphingolipid that is decreased in rats following long-term, low-dose administration of dimethoate and is used as a biomarker for dimethoate exposure

ChemicalCAS50731-08-3MW273.5FormulaC16H35NO2
CAS number
50731-08-3
Molecular weight
273.5
Formula
C16H35NO2
Solubility
Chloroform： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
ZKLREJQHRKUJHD-UHFFFAOYSA-N
Catalogue number
GC43488
Brand
GLPBIO
Computed properties PubChem CID 11076605 · XLogP 4.7 · TPSA 66.5 Ų · H-bond donors 3
XLogP
4.7
TPSA
66.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
19

SMILES CCCCCCCCCCCCCC(C(CO)N)O

Computed descriptors from PubChem (CID 11076605), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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