CALCIUM GLUBIONATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H21O12.C6H11O7.Ca
Molecular Weight	592.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM GLUBIONATE ANHYDROUS

Structure Search

SMILES

[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.[H][C@@]1(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C([O-])=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=YPCRNBPOUVJVMU-LCGAVOCYSA-L

InChI=1S/C12H22O12.C6H12O7.Ca/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1

HIDE SMILES / InChI

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

Molecular Formula	C6H10O7
Molecular Weight	194.1394
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C12H22O12
Molecular Weight	358.2959
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:27 UTC 2023` Edited by `admin` on `Fri Dec 15 19:15:27 UTC 2023`
Record UNII	93H20IU3DN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM GLUBIONATE ANHYDROUS

Common Name

English

(D-GLUCONATO)(LACTOBIONATO)CALCIUM

Common Name

English

CALCIUM D-GLUCONATE LACTOBIONATE

Common Name

English

CALCIUM, (4-O-.BETA.-D-GALACTOPYRANOSYL-D-GLUCONATO-O1)(D-GLUCONATO-O1)-

Common Name

English

Code System Code Type Description

CAS

97635-31-9