PENTASODIUM D-MYO-INOSITOL-1,2,6-TRIPHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H9O15P3.5Na.H
Molecular Weight	530.0047
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTASODIUM D-MYO-INOSITOL-1,2,6-TRIPHOSPHATE

Structure Search

SMILES

[H+].[Na+].[Na+].[Na+].[Na+].[Na+].O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H]1O

InChI

InChIKey=KHSOXCMDPVQTJU-OYJRTZEKSA-I

InChI=1S/C6H15O15P3.5Na/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;/q;5*+1/p-5/t1-,2-,3+,4-,5-,6-;;;;;/m1...../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	C6H9O15P3
Molecular Weight	414.0479
Charge	-6
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H
Molecular Weight	1.0079
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 `Fri Dec 15 16:37:11 GMT 2023` Edited by `admin` on `Fri Dec 15 16:37:11 GMT 2023`
Record UNII	MQS1C50F9A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTASODIUM D-MYO-INOSITOL-1,2,6-TRIPHOSPHATE

Common Name

English

Code System Code Type Description

CAS

136033-48-2

Created by admin on Fri Dec 15 16:37:11 GMT 2023 , Edited by admin on Fri Dec 15 16:37:11 GMT 2023

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PUBCHEM

76961788

Created by admin on Fri Dec 15 16:37:11 GMT 2023 , Edited by admin on Fri Dec 15 16:37:11 GMT 2023

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FDA UNII

MQS1C50F9A

Created by admin on Fri Dec 15 16:37:11 GMT 2023 , Edited by admin on Fri Dec 15 16:37:11 GMT 2023

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