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Chemical structure of L-Phenylmercapturic acid-d5

GC70869

L-Phenylmercapturic acid-d5

Also known as (2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanylpropanoic acid

L-Phenylmercapturic acid-d5is the deuterium labeledL-Phenylmercapturic acid

ChemicalCAS1331906-27-4MW244.32FormulaC11H8D5NO3S
CAS number
1331906-27-4
Molecular weight
244.32
Formula
C11H8D5NO3S
InChIKey
CICOZWHZVMOPJS-WYDCHYGLSA-N
Catalogue number
GC70869
Brand
GLPBIO
Computed properties PubChem CID 46782743 · XLogP 1.4 · TPSA 91.7 Ų · H-bond donors 2
XLogP
1.4
TPSA
91.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])SC[C@H](C(=O)O)NC(=O)C)[2H])[2H]

Computed descriptors from PubChem (CID 46782743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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