U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16N6O6
Molecular Weight 388.3348
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(P-NITROPHENYL)ADENOSINE

SMILES

NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(=N1)C4=CC=C(C=C4)[N+]([O-])=O

InChI

InChIKey=HNRQCEZXCMMODB-UBEDBUPSSA-N
InChI=1S/C16H16N6O6/c17-13-10-15(20-14(19-13)7-1-3-8(4-2-7)22(26)27)21(6-18-10)16-12(25)11(24)9(5-23)28-16/h1-4,6,9,11-12,16,23-25H,5H2,(H2,17,19,20)/t9-,11-,12-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N6O6
Molecular Weight 388.3348
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:30:56 GMT 2025
Edited
by admin
on Mon Mar 31 22:30:56 GMT 2025
Record UNII
QF9YNW6M5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(P-NITROPHENYL)ADENOSINE
Common Name English
ADENOSINE, 2-(4-NITROPHENYL)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID30190640
Created by admin on Mon Mar 31 22:30:56 GMT 2025 , Edited by admin on Mon Mar 31 22:30:56 GMT 2025
PRIMARY
PUBCHEM
148034
Created by admin on Mon Mar 31 22:30:56 GMT 2025 , Edited by admin on Mon Mar 31 22:30:56 GMT 2025
PRIMARY
FDA UNII
QF9YNW6M5S
Created by admin on Mon Mar 31 22:30:56 GMT 2025 , Edited by admin on Mon Mar 31 22:30:56 GMT 2025
PRIMARY
CAS
37151-16-9
Created by admin on Mon Mar 31 22:30:56 GMT 2025 , Edited by admin on Mon Mar 31 22:30:56 GMT 2025
PRIMARY