Sodium D-Pantoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H11O4.Na
Molecular Weight	170.1389
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=XTIMSSMEPPKSQD-WCCKRBBISA-M

InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C6H11O4
Molecular Weight	147.1491
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:14:31 GMT 2023` Edited by `admin` on `Sat Dec 16 19:14:31 GMT 2023`
Record UNII	D4XH2TQC4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium D-Pantoate

Common Name

English

D-Pantoic acid sodium salt

Common Name

English

Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1), (2R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

D4XH2TQC4W

Created by admin on Sat Dec 16 19:14:31 GMT 2023 , Edited by admin on Sat Dec 16 19:14:31 GMT 2023

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RS_ITEM_NUM

1613928

Created by admin on Sat Dec 16 19:14:31 GMT 2023 , Edited by admin on Sat Dec 16 19:14:31 GMT 2023

PRIMARY

CAS

60979-68-2

Created by admin on Sat Dec 16 19:14:31 GMT 2023 , Edited by admin on Sat Dec 16 19:14:31 GMT 2023

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PUBCHEM

23716478

Created by admin on Sat Dec 16 19:14:31 GMT 2023 , Edited by admin on Sat Dec 16 19:14:31 GMT 2023

PRIMARY

Related Record Type Details


					0J1TL6G6J9

Pantoic acid

PARENT -> SALT/SOLVATE

Amount: