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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
(2R,3R,4R,5R)-4-(acetyloxy)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-2-methyloxolan-3-yl acetate

Inventory

CAS number:
161599-46-8
Synonyms
Names:
Identifier:
IUPAC name
2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine
Identifier:
IUPAC name
[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
Identifier:
other: Molecular formula
C13 H16 F N3 O6
Identifier:
other: Molecular formula
C13H16FN3O6
Acetic acid 4-acetoxy-5-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-2-methyl-tetrahydro-furan-3-yl ester

Molecular and structural information

Molecular formula:
C13 H16 F N3 O6
Molecular weight:
329.29
SMILES notation:
CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
InChl:
InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
Structural formula:
Chemical structure

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