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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N4O15P3.3Na
Molecular Weight 590.1107
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Xanthosine 5?-(tetrahydrogen triphosphate), trisodium salt

SMILES

[Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)N2C=NC3=C2NC(=O)NC3=O

InChI

InChIKey=TXNUUXBAEGNVQZ-CYCLDIHTSA-K
InChI=1S/C10H15N4O15P3.3Na/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;;/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C10H12N4O15P3
Molecular Weight 521.1414
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
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 Wed Apr 02 16:43:21 GMT 2025
Edited
by admin
on Wed Apr 02 16:43:21 GMT 2025
Record UNII
CQJ7UND9WR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XTP-Sodium salt
Preferred Name English
Xanthosine 5?-(tetrahydrogen triphosphate), trisodium salt
Common Name English
Code System Code Type Description
FDA UNII
CQJ7UND9WR
Created by admin on Wed Apr 02 16:43:21 GMT 2025 , Edited by admin on Wed Apr 02 16:43:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID80694522
Created by admin on Wed Apr 02 16:43:21 GMT 2025 , Edited by admin on Wed Apr 02 16:43:21 GMT 2025
PRIMARY
PUBCHEM
155717740
Created by admin on Wed Apr 02 16:43:21 GMT 2025 , Edited by admin on Wed Apr 02 16:43:21 GMT 2025
PRIMARY
CAS
105931-36-0
Created by admin on Wed Apr 02 16:43:21 GMT 2025 , Edited by admin on Wed Apr 02 16:43:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE