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640-68-6 molecular structure
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(2R)-2-amino-3-methylbutanoic acid

ChemBase ID: 102837
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
CC(C)[C@@H](N)C(=O)O
Canonical SMILES:
N[C@@H](C(=O)O)C(C)C
InChI:
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey:
KZSNJWFQEVHDMF-SCSAIBSYSA-N

Cite this record

CBID:102837 http://www.chembase.cn/molecule-102837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-methylbutanoic acid
IUPAC Traditional name
D-valine
Synonyms
D-2-Amino-3-methylbutanoic acid
D-α-Aminoisovaleric acid
D-VALINE
D-Valine
(R)-α-Aminoisovaleric acid
D-2-Aminoisovaleric acid
(R)-(-)-2-Amino-3-methylbutyric acid
(2R)-2-amino-3-methylbutanoic acid
(-)-2-Amino-3-methylbutyric Acid
(R)-3-Methyl-2-aminobutanoic Acid
(R)-Valine
D-(-)-Valine
NSC 20654
D-α-氨基异戊酸
D-2-氨基-3-甲基丁酸
D-缬氨酸
CAS Number
640-68-6
EC Number
211-368-9
MDL Number
MFCD00064219
Beilstein Number
1721135
PubChem SID
162088293
24900713
24890031
24888396
PubChem CID
71563

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7172735  H Acceptors
H Donor LogD (pH = 5.5) -1.9534721 
LogD (pH = 7.4) -1.9554411  Log P -1.9531364 
Molar Refractivity 29.4929 cm3 Polarizability 12.004493 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
> 285°C expand Show data source
>295 °C (subl.)(lit.) expand Show data source
295°C dec. expand Show data source
Optical Rotation
[α]20/D -27.0±0.5°, c = 5% in 5 M HCl expand Show data source
[α]23/D -32.0 to -24.0°, c = 8 in 6 M HCl expand Show data source
-27 (c=5 in 5N HCl) expand Show data source
Hydrophobicity(logP)
-2.286 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
YV9360000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% expand Show data source
≥99.0% (NT) expand Show data source
95% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Optical Purity
ee: 99% (GLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
Linear Formula
(CH3)2CHCH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02103226 external link
Crystalline
Purity: 99%
Sigma Aldrich - V1255 external link
Application
D-valine is used in cell culture as a selective inhibitor of cell proliferation, wherein it inhibits cells that lack the enzyme D-amino acid oxidase. Historically D-valine has been used to inhibit fibroblast growth while allowing selective growth of epithelial cells.
General description
L-Valine is an essential non-polar amino acid. D-Valine is the non-proteinogenic isomer of valine.
Sigma Aldrich - 855987 external link
Packaging
25 g in poly bottle
5 g in glass bottle
Toronto Research Chemicals - V094200 external link
D-Valine is an isomer of the essential amino acid L-Valine. D-Valine has been used as a selective agent in epithelial cells in culture since it inhibits cells that lack the enzyme D-amino acid oxidase. D-Valine has also been shown to inhibit proliferation

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gilbert, S.F. et al.: Cell, 5, 11 (1975)
  • • Hongpaisan, J. et al.: Cell Biol. Int., 24, 1 (1975)
  • • Sasamura, T. et al.: J, Nutrit. Sci. Vitaminol., 44, 89 (1975)
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PATENTS

PATENTS

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INTERNET

INTERNET

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