SODIUM DL-.ALPHA.-HYDROXYISOCAPROATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H11O3.Na
Molecular Weight	154.1395
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM DL-.ALPHA.-HYDROXYISOCAPROATE

Structure Search

SMILES

[Na+].CC(C)CC(O)C([O-])=O

InChI

InChIKey=WMPVOYIJOLKBNA-UHFFFAOYSA-M

InChI=1S/C6H12O3.Na/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C6H11O3
Molecular Weight	131.1497
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:43:40 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:40 GMT 2023`
Record UNII	MMY2KL93K9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM DL-.ALPHA.-HYDROXYISOCAPROATE

Common Name

English

Pentanoic acid, 2-hydroxy-4-methyl-, sodium salt (1:1)

Systematic Name

English

Pentanoic acid, 2-hydroxy-4-methyl-, monosodium salt, (±)-

Systematic Name

English

SODIUM DL-ALPHA-HYDROXYISOCAPROATE

Common Name

English

Code System Code Type Description

PUBCHEM

23678826

Created by admin on Sat Dec 16 11:43:40 GMT 2023 , Edited by admin on Sat Dec 16 11:43:40 GMT 2023

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EPA CompTox

DTXSID00977061

Created by admin on Sat Dec 16 11:43:40 GMT 2023 , Edited by admin on Sat Dec 16 11:43:40 GMT 2023

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FDA UNII

MMY2KL93K9

Created by admin on Sat Dec 16 11:43:40 GMT 2023 , Edited by admin on Sat Dec 16 11:43:40 GMT 2023

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CAS

61499-04-5

Created by admin on Sat Dec 16 11:43:40 GMT 2023 , Edited by admin on Sat Dec 16 11:43:40 GMT 2023

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