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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15N5O5
Molecular Weight 309.278
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL ADENOSINE-5'-CARBOXYLATE

SMILES

CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N

InChI

InChIKey=IHTXJAFDKUQWOX-MCHASIABSA-N
InChI=1S/C12H15N5O5/c1-2-21-12(20)8-6(18)7(19)11(22-8)17-4-16-5-9(13)14-3-15-10(5)17/h3-4,6-8,11,18-19H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15N5O5
Molecular Weight 309.278
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 Sat Dec 16 10:00:58 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:58 GMT 2023
Record UNII
H90LD92T80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL ADENOSINE-5'-CARBOXYLATE
Systematic Name English
.BETA.-D-RIBOFURANURONIC ACID, 1-(6-AMINO-9H-PURIN-9-YL)-1-DEOXY-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
161884
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
FDA UNII
H90LD92T80
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
CAS
35803-57-7
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID60957187
Created by admin on Sat Dec 16 10:00:58 GMT 2023 , Edited by admin on Sat Dec 16 10:00:58 GMT 2023
PRIMARY
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