3'-Deoxycytidine
Basic information
- CAS
7057-33-2- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n1- InChIKey
ZHHOTKZTEUZTHX-SHYZEUOFSA-N- Molecular formula
- C9H13N3O4
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.0906059
Names & identifiers
- Preferred name
- 3'-Deoxycytidine
- IUPAC
- 4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 3'-Deoxycytidine
- Molecular formula
- C9H13N3O4
- Molecular weight
- 227.22
Names & synonyms
3'-Deoxycytidine7057-33-2RefChem:903684-Amino-1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneMFCD000791443'-Deoxy-D-cytidineCytidine, 3'-deoxy-4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-oneBRN 06167423'-deoxy-cytidin3-DEOXYCYTIDINE
Show more names
antiviral agent3’-deoxy-cytidin3'-Deaxycytidine3'-deoxyribicytidinePafolacianine Impurity 1
3'-deoxycytidine free baseSCHEMBL985491-(3-Deoxy-beta-D-erythro-pentofuranosyl)cytosine3-DCCHEMBL368341orb1908729DTXSID80990793TNU0250
Database identifiers
- CAS
7057-33-2- PubChem CID
- 145986
- DTXSID
DTXSID80990793- ChEMBL
CHEMBL368341- Nikkaji
- J301.903I
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 230 · 230-232 °C
- Boiling point
- 497.6 · 497.6±55.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.01 · 14.01±0.60(Predicted)
- form
- Solid
- color
- White to light yellow
- optical activity
- Consistent with structure
- InChI
- InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
- InChIKey
- ZHHOTKZTEUZTHX-SHYZEUOFSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- HA3830000
- hs_code
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P362
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
Applications
Uses3'-Deoxycytidine is an inhibitor of nucleolar RNA synthesis but does not affect the appearance of mRNA. Displayed inhibitory properties against the replication of hepatitis C virus-like RNA template.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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