CALCIUM 5-KETOGLUCONATE

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C6H9O7.Ca
Molecular Weight	426.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM 5-KETOGLUCONATE

Structure Search

SMILES

[Ca++].OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O

InChI

InChIKey=HNXKHQGRMMZMKP-UINDWOIOSA-L

InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*3-5,7,9-11H,1H2,(H,12,13);/q;;+2/p-2/t2*3-,4+,5-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C6H9O7
Molecular Weight	193.1315
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 `Mon Mar 31 22:56:10 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:10 GMT 2025`
Record UNII	1C59PKC55M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM 5-KETOGLUCONATE

Common Name

English

NSC-1694

Preferred Name

English

D-XYLO-5-HEXULOSONIC ACID, CALCIUM SALT (2:1)

Systematic Name

English

D-XYLO-5-HEXULOSONIC ACID, CALCIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

1C59PKC55M

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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CAS

3470-36-8

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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PUBCHEM

12850184

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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EPA CompTox

DTXSID2045078

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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ECHA (EC/EINECS)

222-436-2

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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NSC

1694

Created by admin on Mon Mar 31 22:56:10 GMT 2025 , Edited by admin on Mon Mar 31 22:56:10 GMT 2025

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