Inosine 5′-(trihydrogen diphosphate), trisodium salt, monohydrate
CAS Registry Number®
81012-88-6
CAS Name
Inosine 5′-(trihydrogen diphosphate), trisodium salt, monohydrateMolecular Formula
C10H14N4O11P2.H2O.3NaCite this Page
Inosine 5′-(trihydrogen diphosphate), trisodium salt, monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81012-88-6 (retrieved ) (CAS RN: 81012-88-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C10H14N4O11P2.3Na.H2O/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;;;1H2/t4-,6-,7-,10-;;;;/m1..../s1
InChIKey
InChIKey=BEOUQDGUTWLZEF-KWIZKVQNSA-N
SMILES
O[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=CN3)O[C@H](COP(OP(=O)(O)O)(=O)O)[C@H]1O.[Na].O
Canonical SMILES
[Na].O=C1N=CNC2=C1N=CN2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O.O
Other Names for this Substance
- Inosine 5′-(trihydrogen diphosphate), trisodium salt, monohydrate