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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12N3O11P2.3Na
Molecular Weight 469.1219
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM CYTIDINE 5'-DIPHOSPHATE

SMILES

[Na+].[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O

InChI

InChIKey=JENUKVZGXGULDX-LLWADOMFSA-K
InChI=1S/C9H15N3O11P2.3Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H12N3O11P2
Molecular Weight 400.1526
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0TZ883O8PW
Record Status Validated (UNII)
Record Version