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Home > Fluorides > 138685-83-3
138685-83-3 | Cytidine, 2'-deoxy-2',2'-difluoro-N-[(phenylmethoxy)carbonyl]-
CAS No: 138685-83-3 Catalog No: AG00190H MDL No:
Product Description
Catalog Number:
AG00190H
Chemical Name:
Cytidine, 2'-deoxy-2',2'-difluoro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
138685-83-3
Molecular Formula:
C17H17F2N3O6
Molecular Weight:
397.3302
IUPAC Name:
benzyl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
InChI:
InChI=1S/C17H17F2N3O6/c18-17(19)13(24)11(8-23)28-14(17)22-7-6-12(20-15(22)25)21-16(26)27-9-10-4-2-1-3-5-10/h1-7,11,13-14,23-24H,8-9H2,(H,20,21,25,26)/t11-,13-,14-/m1/s1
InChI Key:
KFZMOOGZFANFGH-MRVWCRGKSA-N
SMILES:
OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)NC(=O)OCc1ccccc1
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
397.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.335g/mol
Monoisotopic Mass:
397.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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