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10212-19-8 | Cytidine, 2'-chloro-2'-deoxy- (8CI,9CI)
CAS No: 10212-19-8 Catalog No: AG0006OQ MDL No:MFCD06658147
Product Description
Catalog Number:
AG0006OQ
Chemical Name:
Cytidine, 2'-chloro-2'-deoxy- (8CI,9CI)
CAS Number:
10212-19-8
Molecular Formula:
C9H12ClN3O4
Molecular Weight:
261.6623
MDL Number:
MFCD06658147
IUPAC Name:
4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H12ClN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
InChI Key:
LOZPBORRQPATRO-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Cl)n1ccc(nc1=O)N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
261.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.662g/mol
Monoisotopic Mass:
261.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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