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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N5O5
Molecular Weight 387.3898
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-PHENYLETHOXY)ADENOSINE

SMILES

NC1=NC(OCCC2=CC=CC=C2)=NC3=C1N=CN3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O

InChI

InChIKey=LNJMSJMYTVMMGS-LSCFUAHRSA-N
InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21N5O5
Molecular Weight 387.3898
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 Tue Apr 01 16:23:07 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:07 GMT 2025
Record UNII
73QD7Q797X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-PHENYLETHOXY)ADENOSINE
Systematic Name English
ADENOSINE, 2-(2-PHENYLETHOXY)-
Preferred Name English
Code System Code Type Description
PUBCHEM
131432
Created by admin on Tue Apr 01 16:23:07 GMT 2025 , Edited by admin on Tue Apr 01 16:23:07 GMT 2025
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FDA UNII
73QD7Q797X
Created by admin on Tue Apr 01 16:23:07 GMT 2025 , Edited by admin on Tue Apr 01 16:23:07 GMT 2025
PRIMARY
CAS
131865-79-7
Created by admin on Tue Apr 01 16:23:07 GMT 2025 , Edited by admin on Tue Apr 01 16:23:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID10927375
Created by admin on Tue Apr 01 16:23:07 GMT 2025 , Edited by admin on Tue Apr 01 16:23:07 GMT 2025
PRIMARY