2',3'-Didehydro-2',3'-dideoxycytidine

HCID 64683CAS 7481-88-1

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccn([C@H]2C=C[C@@H](CO)O2)c(=O)n1
InChIKey: OOBICGOWICFMIX-POYBYMJQSA-N
Molecular formula: C9H11N3O3
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.08004122

Names & identifiers

Preferred name: 2',3'-Didehydro-2',3'-dideoxycytidine
IUPAC: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
English name: ZALCITABINE RELATED COMPOUND A (50 MG) (2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE)
Molecular formula: C9H11N3O3
Molecular weight: 209.2

Names & synonyms

7481-88-12',3'-didehydro-2',3'-dideoxycytidineddeCyd2',3'-DideoxycytidineneCI9X00489LDTXSID302257842',3'-DDDC2',3'-dideoxy-2',3-didehydrocytidineRefChem:800462',3'-dideoxy-2',3'-didehydrocytidineneDTXCID60148275Dideoxycytidinene

Show more names

D4C2',3'-dideoxy-2'-cytidineneZalcitabine Related CoMpound A2,3’-didehydro-2’,3’-dideoxy-cytidin2’,3’-dideoxy-2’,3’-didehydrocytidineCytidine, 2',3'-didehydro-2',3'-dideoxy-

2',3'-Dideoxy-2',3'-didehydrocytidine4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-oneCHEMBL21152784-Amino-1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl)pyrimidin-2(1H)-oneddddCUNII-CI9X00489L4-Amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2(1H)-one4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,2-dihydropyrimidin-2-one

Database identifiers

CAS: 7481-88-1
PubChem CID: 64683
DTXSID: DTXSID30225784
ChEMBL: CHEMBL2115278
ChEBI: CHEBI:231258
UNII: CI9X00489L
Nikkaji: J81.407E

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 88.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 362

Physicochemical properties

Melting point: 168 · 168-169℃ (ethanol )
Boiling point: 425.4 · 425.4±55.0 °C(Predicted)
Density: 1.56 · 1.56±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly), Ethanol (Slightly, Sonicated)
form: Solid
pka: 14.28 · 14.28±0.10(Predicted)
color: Off-White to Pale Yellow
Stability: Hygroscopic
FDA UNII: 9 X00489L · CI9X00489L
HS Code: 2934990002 · 2934990002

Safety & regulation

Safety data

hs_code: 2934990002

Chemistry & industry

Applications

UsesDideoxycytidinene, can be used for the synthesis of Zalcitabine (Z140000), which is pyrimidine nucleoside analogue with antiviral activity.

UsesZALCITABINE RELATED COMPOUND A (50 MG) (2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE), can be used for the syntheis of Zalcitabine (Z140000), which is pyrimidine nucleoside analogue with antiviral activity.