sodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate

HCID 23716478
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Basic information

CAS
60979-68-2
Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)[O-].[Na+]
InChIKey
XTIMSSMEPPKSQD-WCCKRBBISA-M
Molecular formula
C6H11NaO4
Average molar mass
170.14 g/mol
Monoisotopic mass
170.05550311

Names & identifiers

Preferred name
sodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate
IUPAC
sodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate
English name
(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt
Molecular formula
C{6}H{11}NaO{4}
Molecular weight
172.16

Names & synonyms

60979-68-2Sodium D-pantoatesodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate(R)-Pantoic Acid Sodium Saltsodium (R)-2,4-dihydroxy-3,3-dimethylbutanoateSodium;(2R)-2,4-dihydroxy-3,3-dimethylbutanoateD4XH2TQC4WD-Pantoic acid sodium saltC6H11NaO4(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium saltDexpanthenol Impurity 7(2R)-BUTANOIC ACID, 2,4-DIHYDROXY-3,3-DIMETHYL-, SODIUM SALT (1:1)
Show more names
Pantoic acid sodium(+)-Sodium pantoateDexpanthenol Impurity 2Pantoic Acid Impurity 1Dexpanthenol Impurity 1 Sodium SaltDexpanthenol impurity B Sodium salt
Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1), (2R)-sodium pantoateMFCD29079001pantoic acid sodium saltUNII-D4XH2TQC4WDexpanthenol Impurity 28orb3145206SCHEMBL2829744

Database identifiers

CAS
60979-68-2
PubChem CID
23716478
UNII
D4XH2TQC4W
EC Number
612-057-4
Nikkaji
J21.871E

Properties

Computed structural properties

Topological polar surface area
80.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
167 · 167-171oC
storage temp.
-20 °C · -20°C
solubility
Methanol (Slightly), Water (Slightly)
form
Solid
color
White
optical activity
8 · [α]/D 8.0±1.0°, c = 1 in H2O

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

wgk
WGK 3
hs_code
2918195000
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

Uses(R)-Pantoic Acid Sodium Salt, is the derivative of Pantothenic (P190300) and γ-Aminobutyric Acids (A602920), which has shown to have some effect like depressing motor and aggressive behavior, hyperactivity, and body temperature.

Uses(R)-Pantoic Acid Sodium Salt is the derivative of Pantothenic (P190300) and γ-Aminobutyric Acids (A602920), which has shown to have some effect like depressing motor and aggressive behavior, hyperactivity, and body temperature.

Suppliers57 total

济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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