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Chemical structure of Mandelic acid-2,3,4,5,6-d5

GC72568

Mandelic acid-2,3,4,5,6-d5

Also known as 2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid

Mandelic acid-2,3,4,5,6-d5 is the deuterium labeled Mandelic acid

ChemicalCAS70838-71-0MW157.18FormulaC8H3D5O3
CAS number
70838-71-0
Molecular weight
157.18
Formula
C8H3D5O3
InChIKey
IWYDHOAUDWTVEP-RALIUCGRSA-N
Catalogue number
GC72568
Brand
GLPBIO
Computed properties PubChem CID 15621037 · XLogP 0.6 · TPSA 57.5 Ų · H-bond donors 2
XLogP
0.6
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C(=O)O)O)[2H])[2H]

Computed descriptors from PubChem (CID 15621037), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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