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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11N4O8P.2Na.H2O
Molecular Weight 410.1849
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 5'-INOSINATE MONOHYDRATE

SMILES

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=KQCIGEIXDXQSGM-MSQVLRTGSA-L
InChI=1S/C10H13N4O8P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C10H12N4O8P
Molecular Weight 347.198
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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 HO
Molecular Weight 17.0073
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 Sat Dec 16 09:36:57 UTC 2023
Edited
by admin
on Sat Dec 16 09:36:57 UTC 2023
Record UNII
KZ6R6P2Y0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 5'-INOSINATE MONOHYDRATE
Common Name English
INOSINE 5'-PHOSPHATE DISODIUM MONOHYDRATE
Systematic Name English
5'-INOSINIC ACID, SODIUM SALT, HYDRATE (1:2:1)
Systematic Name English
Code System Code Type Description
CAS
1192013-78-7
Created by admin on Sat Dec 16 09:36:58 UTC 2023 , Edited by admin on Sat Dec 16 09:36:58 UTC 2023
PRIMARY
PUBCHEM
135565601
Created by admin on Sat Dec 16 09:36:58 UTC 2023 , Edited by admin on Sat Dec 16 09:36:58 UTC 2023
PRIMARY
CAS
352195-40-5
Created by admin on Sat Dec 16 09:36:58 UTC 2023 , Edited by admin on Sat Dec 16 09:36:58 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
KZ6R6P2Y0B
Created by admin on Sat Dec 16 09:36:58 UTC 2023 , Edited by admin on Sat Dec 16 09:36:58 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE