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127841-05-8 | Cytidine, 3'-azido-2',3'-dideoxy-2'-fluoro- (9CI)
CAS No: 127841-05-8 Catalog No: AG000XG6 MDL No:
Product Description
Catalog Number:
AG000XG6
Chemical Name:
Cytidine, 3'-azido-2',3'-dideoxy-2'-fluoro- (9CI)
CAS Number:
127841-05-8
Molecular Formula:
C9H11FN6O3
Molecular Weight:
270.2204
IUPAC Name:
4-amino-1-[(2R,3R,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H11FN6O3/c10-6-7(14-15-12)4(3-17)19-8(6)16-2-1-5(11)13-9(16)18/h1-2,4,6-8,17H,3H2,(H2,11,13,18)/t4-,6-,7-,8-/m1/s1
InChI Key:
FRXFYPCBDVKWIX-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1N=[N+]=[N-])F)n1ccc(nc1=O)N
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
270.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.224g/mol
Monoisotopic Mass:
270.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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