Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate)

Basic Information

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CAS Number

137-08-6

Molecular Formula

C18H32CaN2O10

Molecular Weight

476.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

190 ºC

Boiling Point

551.5 °C at 760 mmHg

Density

1.2660

Water Solubility

Soluble in water.

Flash Point

145 °C

Solubility

H2O: 50 mg/mL at 25 °C, clear, nearly colorless

Refractive Index

27 ° (C=5, H2O)

Specific Rotation

26.5 º (c=5, in water)

SMILES

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O=C([O-])CCNC([C@H](O)C(C)(C)CO)=O.O=C([O-])CCNC([C@H](O)C(C)(C)CO)=O.[Ca+2]

InChI

InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1

InChIKey

FAPWYRCQGJNNSJ-UBKPKTQASA-L

LogP

-1.45900

Complexity

233

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Stability

Stable, but may be moisture or air sensitive. Incompatible with strong acids, strong bases.

Sensitiveness

Hygroscopic

Synonyms & References

English

Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
CALCIUM D-(+)-PANTOTHENATE
CALCIUM D-PANTOTHENATE
CALCIUM (+)-PANTOTHENATE
CALCIUM PANTOTHENATE
D-CALCIUM PANTATHENATE
D-CALCIUM PANTHOTENA
D-(+)-CALCIUM PANTOTHENATE
D-CALCIUM PANTOTHENATE
DL-VITAMIN B CALCIUM SALT
D[+]-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-B-ALANINE
D-N-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL)-B-ALANINE CALCIUM SALT
D[+]-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-B-ALANINE HEMICALCIUM SALT
D(+)-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-BETA-ALANINE
D(+)-N-[2,4-DIHYDROXY-3,3-DIMETHYLBUTYRYL]-BETA-ALANINE HEMICALCIUM SALT
D-PANTOTHENIC ACID, CALCIUM
D-PANTOTHENIC ACID CALCIUM SALT
D(+)-PANTOTHENIC ACID HEMICALCIUM SALT
D-PANTOTHENIC ACID HEMICALCIUM SALT
D-VITAMIN B CALCIUM SALT
D-(+)-Pantothenic acid calcium salt
Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)-propanoate
Calcium d panththenate
Calcium-d-pantothenate
D-Pantothenic acid (hemicalcium salt)
Pantothenic Acid
Pantothenic Acid Hem
VITAMIN B5 (AS) PrintBack
VITAMIN B5(CALCIUM PANTOTHENATE)(P)
VITAMIN B5(CALCIUM PANTOTHENATE)(RG)

MDL Number

MFCD00002766

Customs Code

2936240000

FAQ

What is Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6)?

Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) is a calcium salt of a dicarboxylic acid derivative. It contains two propanoate groups linked to an amino moiety with a 2,4-dihydroxy-3,3-dimethylbutanoyl chain. This compound is characterized by its molecular structure, which includes hydroxyl and methyl groups, making it a complex organic calcium compound. It is commonly used in pharmaceutical and industrial applications due to its chemical properties, such as solubility and reactivity.

What are the main uses of Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6)?

Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) is primarily used in pharmaceuticals as a drug intermediate or stabilizer. It also finds applications in industrial processes, such as polymer synthesis, and in research for developing new chemical formulations. Its unique structure may contribute to its utility in creating compounds with specific functional properties, though exact applications depend on further scientific studies.

Is Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) safe?

Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) is generally considered safe when handled properly. However, as with many chemicals, it requires adherence to safety protocols to minimize risks. Precautions include wearing protective gloves and eyewear, avoiding inhalation, and following guidelines from regulatory bodies like OSHA. Its safety profile is typically assessed for industrial and research use, ensuring compliance with established chemical safety standards.

How should Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) be stored?

Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (CAS: 137-08-6) should be stored in a cool, dry place away from moisture and light. It is best kept in airtight, dark containers to maintain stability. Storage conditions typically require temperatures between 2-8°C and low humidity. Avoid exposure to air and ensure proper labeling to prevent contamination or degradation.