11-Fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;formic acid

HCID 293602

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Basic information

CAS: 37697-53-3
Standard SMILES: N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2.O=CO
InChIKey: DUMGDEDCTIQBSM-UHFFFAOYSA-N
Molecular formula: C10H12FN3O6
Average molar mass: 289.22 g/mol
Monoisotopic mass: 289.07101327

Names & identifiers

Preferred name: 11-Fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;formic acid
IUPAC: 11-fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;formic acid

Names & synonyms

37697-53-3NSC160436NSC 160436Formic acid compound with 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-ol (1:1)Formic acid compound with 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-ol (1:1)DTXSID60958735O2, 5-fluoro-, monoformate (salt)NSC-160436O2,2'-Cyclocytidine, 5-fluoro-, monoformate (salt)7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-ol; formic acidFormic acid--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-ol (1/1)

Database identifiers

CAS: 37697-53-3
PubChem CID: 293602
DTXSID: DTXSID60958735

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 448

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