Elbaite Tourmaline

Details

Stereochemistry	ACHIRAL
Molecular Formula	15Al.6BO3.3Li.2Na.2O18Si6.8HO
Molecular Weight	1873.444
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Li+].[Li+].[Li+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1.[O-][Si]2([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O2

InChI

InChIKey=KBLLTUPFLCFUGM-UHFFFAOYSA-F

InChI=1S/15Al.6BO3.3Li.2Na.2O18Si6.8H2O/c;;;;;;;;;;;;;;;6*2-1(3)4;;;;;;2*1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;;;;;;;;/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*1H2/q15*+3;6*-3;5*+1;2*-12;;;;;;;;/p-8

HIDE SMILES / InChI

Molecular Formula	Li
Molecular Weight	6.941
Charge	1
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	Al
Molecular Weight	26.9815386
Charge	3
Count

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

Molecular Formula	BO3
Molecular Weight	58.809
Charge	-3
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	O18Si6
Molecular Weight	456.5022
Charge	-12
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 `Wed Apr 02 21:09:52 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:52 GMT 2025`
Record UNII	W95CT3NHM8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Elbaite Tourmaline

Preferred Name

English

Code System Code Type Description

CAS

1317-93-7

Created by admin on Wed Apr 02 21:09:52 GMT 2025 , Edited by admin on Wed Apr 02 21:09:52 GMT 2025

GENERIC (FAMILY)

CAS

12197-81-8

Created by admin on Wed Apr 02 21:09:52 GMT 2025 , Edited by admin on Wed Apr 02 21:09:52 GMT 2025

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FDA UNII

W95CT3NHM8

Created by admin on Wed Apr 02 21:09:52 GMT 2025 , Edited by admin on Wed Apr 02 21:09:52 GMT 2025

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