5-F-Anhydro-ara-C hydrochloride

HCID 293603

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Basic information

CAS: 40505-45-1
Standard SMILES: N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2
InChIKey: PAYBYKKERMGTSS-UHFFFAOYSA-N
Molecular formula: C9H10FN3O4
Average molar mass: 243.19 g/mol
Monoisotopic mass: 243.06553397

Names & identifiers

Preferred name: 5-F-Anhydro-ara-C hydrochloride
IUPAC: 11-fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol

Names & synonyms

Cyclo FC5-F-Anhydro-ara-C hydrochlorideAnhydro-arabinosyl-5-fluoro-cytosine hydrochlorideMLS002702049NSC166641Cyclo cytidine, 5-fluoro-, hydrochlorideO2,2'-Cyclocytidine, 5-fluoro-, monohydrochloride5-Fluorocyclocytidine; 5'-FluorocyclocytidineCHEMBL1732521NCI60_001309SMR001565621MLS002702049-02

Show more names

11-Fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-ol

Database identifiers

CAS: 40505-45-1
PubChem CID: 293603
ChEMBL: CHEMBL1732521

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 438

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