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177614-69-6

177614-69-6 Structure

177614-69-6 Structure
IdentificationBack Directory
[Name]

D-ALANINE-3,3,3-D3
[CAS]

177614-69-6
[Synonyms]

D-Alanine-d3
[2H3]-D-Alanine
D-ALANINE-3,3,3-D3
(2R)-2-amino-3,3,3-trideuterio-propanoic acid
[Molecular Formula]

C3H4D3NO2
[MDL Number]

MFCD03428094
[MOL File]

177614-69-6.mol
[Molecular Weight]

92.11
Chemical PropertiesBack Directory
[Melting point ]

291 °C (dec.)(lit.)
[Boiling point ]

212.907±23.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Refrigerator
[solubility ]

Aqueous Acid (Slightly), Aqueous Base (Slightly), Water (Sparingly, Sonicated)
[form ]

Solid
[pka]

2.308±0.10(predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]25/D -14.5°, c = 2 in 1 M HCl
[Stability:]

Stable under recommended storage conditions., Stable Under Recommended Storage C
[InChI]

1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i1D3
[InChIKey]

QNAYBMKLOCPYGJ-HBXZPZNNSA-N
[SMILES]

[2H]C([2H])([2H])[C@@H](N)C(O)=O
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

D-Alanine-3,3,3-d3 is a labelled form of D-Alanine (A480995) which is an amino acid that is commonly found in bacteria, such as Streptococcus faecalis. It is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls. D-Alanine is also known to cause cytotoxic oxidative stress in brain tumour cells.
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