DISODIUM 5'-INOSINATE OCTAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H11N4O8P.2Na.8H2O
Molecular Weight	536.2919
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 5'-INOSINATE OCTAHYDRATE

Structure Search

SMILES

O.O.O.O.O.O.O.O.[Na+].[Na+].O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)N2C=NC3=C2N=CNC3=O

InChI

InChIKey=QKWLBOYKTJDMLH-NAGQJCCQSA-L

InChI=1S/C10H13N4O8P.2Na.8H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;;;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;8*1H2/q;2*+1;;;;;;;;/p-2/t4-,6-,7-,10-;;;;;;;;;;/m1........../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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	C10H11N4O8P
Molecular Weight	346.1901
Charge	-2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:29 UTC 2023` Edited by `admin` on `Sat Dec 16 09:44:29 UTC 2023`
Record UNII	30I0YM7F4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 5'-INOSINATE OCTAHYDRATE

Common Name

English

5'-INOSINIC ACID, DISODIUM SALT, OCTAHYDRATE

Systematic Name

English

INOSINE 5'-PHOSPHATE DISODIUM OCTAHYDRATE

Systematic Name

English

5'-INOSINIC ACID, SODIUM SALT, HYDRATE (1:2:8)

Systematic Name

English

Code System Code Type Description

CAS

21107-91-5