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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H9N3O2.2C5H8NO4.2C4H6NO4.2Zn
Molecular Weight 997.559
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

[Zn++].[Zn++].N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O.N[C@@H](CC1=CNC=N1)C(O)=O.N[C@@H](CC2=CNC=N2)C(O)=O

InChI

InChIKey=NFVGTBSMFAVXOX-VHFGMENTSA-J
InChI=1S/2C6H9N3O2.2C5H9NO4.2C4H7NO4.2Zn/c2*7-5(6(10)11)1-4-2-8-3-9-4;2*6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);2*3H,1-2,6H2,(H,7,8)(H,9,10);2*2H,1,5H2,(H,6,7)(H,8,9);;/q;;;;;;2*+2/p-4/t2*5-;2*3-;2*2-;;/m000000../s1

HIDE SMILES / InChI

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H9N3O2
Molecular Weight 155.1546
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C5H9NO4
Molecular Weight 147.1293
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H5NO4
Molecular Weight 131.0868
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:29 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:29 GMT 2023
Record UNII
G32SG8B4K0
Record Status Validated (UNII)
Record Version
  • Download
Code System Code Type Description
FDA UNII
G32SG8B4K0
Created by admin on Sat Dec 16 14:32:29 GMT 2023 , Edited by admin on Sat Dec 16 14:32:29 GMT 2023
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PUBCHEM
138455031
Created by admin on Sat Dec 16 14:32:29 GMT 2023 , Edited by admin on Sat Dec 16 14:32:29 GMT 2023
PRIMARY