Basic information
- Standard SMILES
Cc1cn(C2CC(N)C(CO)O2)c(=O)[nH]c1=O- InChIKey
ADVCGXWUUOVPPB-UHFFFAOYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
Overview
3'-Amino-3'-deoxythimidine is a pyrimidine 2',3'-dideoxyribonucleoside.
Names & identifiers
- Preferred name
- 1-[4-Amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-Amino-3'-deoxythimidineMFCD00038057SCHEMBL13394196ADVCGXWUUOVPPB-UHFFFAOYSA-NCHEBI:1795821-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneNSC-620059LS-13829NS001161741-[4-amino-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dionePyrimidine-2,4(1H,3H)-dione, 1-(4-amino-5-hydroxymethyltetrahydrofur-2-yl)-5-methyl-
Database identifiers
- PubChem CID
- 359310
- ChEBI
CHEBI:179582
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
Chemistry & industry
Pharmacology
Metabolism/Metabolites3p-Amino-3p-deoxythimidine has known human metabolites that include (2S,3S,4S,5R)-4-[[3-Amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,5,6-trihydroxyoxane-2-carboxylic acid.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Related reactions
2 records
Compound notes
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