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Home> Encyclopedia > Hot Product Listed 6   > 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imin...
37717-21-8 structure

6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R,3R,3aS,9aR)-

Iupac Name:(2R,3R,3aS,9aR)-7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol
CAS No.:37717-21-8
EINECS(EC#): 253-638-9
Molecular Weight:243.194
Molecular Formula:C9H10FN3O4 (isomer)
Names and Identifiers
Synonyms

(2r,3r,3as,9ar)-7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6h-furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol 2,2'-Anhydro-1-b-D-arabinofuranosyl-5-fluorocytosine 2,2'-anhydro-5-fluoro-1-beta-d-arabinofuranosylcytosine 4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2r-(2alpha,3beta,3abeta,9abeta))- 5'-Fluorocyclocytidine 5-Fluorocyclocytidine 6h-furo(2',3' 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, [2R-(2a,3b,3ab,9ab)]- 717f218 89TPE33M27 AC1MHWR7 anhydro-ara-5-fluorocytidine brn 0891648 CHEMBL472561 D04233 flurocitabina flurocitabine flurocitabine (usan/inn) flurocitabinum [inn-latin] nsc-166641 ro-210702 SCHEMBL4607 unii-89tpe33m27 ZINC11612795

Inchi
InChI=1S/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2/t4-,5-,6+,8-/m1/s1
InChkey
PAYBYKKERMGTSS-MNCSTQPFSA-N
Canonical Smiles
C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F
Isomers Smiles
C1=C(C(=N)N=C2N1[C@H]3C(O2)[C@@H]([C@H](O3)CO)O)F
Properties
Density
2.11
Boiling Point
391.7°Cat760mmHg
Refractive Index
1.813
Flash Point
190.7°C
Safety and Handling
Specification

 Flurocitabine (CAS NO.37717-21-8), its Synonyms are 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R,3R,3aS,9aR)- ; 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, [2R-(2a,3b,3ab,9ab)]- ; 2,2'-Anhydro-1-b-D-arabinofuranosyl-5-fluorocytosine ; 5-Fluorocyclocytidine ; 5'-Fluorocyclocytidine .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
precursor:
2341-22-2
2341-22-2
Computational chemical data
  • Molecular Weight:243.194g/mol
  • Molecular Formula:C9H10FN3O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.1
  • Exact Mass:243.066
  • Monoisotopic Mass:243.066
  • Complexity:438
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:98.4A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzOQAAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAWAEAAAAAAHwAQCAAACBThgAYBAANABgCg AAJmZACAAAGAAAABAAAIABADEAIAiAAPQAAHAAATAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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