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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13N5O3.H2O
Molecular Weight 269.2572
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-DEOXYADENOSINE MONOHYDRATE

SMILES

O.NC1=NC=NC2=C1N=CN2[C@H]3C[C@H](O)[C@@H](CO)O3

InChI

InChIKey=WZJWHIMNXWKNTO-VWZUFWLJSA-N
InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H13N5O3
Molecular Weight 251.2419
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:37 UTC 2023
Record UNII
F79D3BS9UH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-DEOXYADENOSINE MONOHYDRATE
Systematic Name English
ADENOSINE, 2'-DEOXY-, HYDRATE (1:1)
Systematic Name English
ADENOSINE, 2'-DEOXY-, MONOHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
F79D3BS9UH
Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID801036040
Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023
PRIMARY
CAS
16373-93-6
Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023
PRIMARY
PUBCHEM
9549172
Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE