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175912-34-2 | Cytidine, 5-bromo-2'-deoxy-5,6-dihydro-6-hydroxy-5-methyl-, (5S,6R)- (9CI)
CAS No: 175912-34-2 Catalog No: AG0021AU MDL No:
Product Description
Catalog Number:
AG0021AU
Chemical Name:
Cytidine, 5-bromo-2'-deoxy-5,6-dihydro-6-hydroxy-5-methyl-, (5S,6R)- (9CI)
CAS Number:
175912-34-2
Molecular Formula:
C10H16BrN3O5
Molecular Weight:
338.1551
IUPAC Name:
(4R,5S)-6-amino-5-bromo-4-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4H-pyrimidin-2-one
InChI:
InChI=1S/C10H16BrN3O5/c1-10(11)7(12)13-9(18)14(8(10)17)6-2-4(16)5(3-15)19-6/h4-6,8,15-17H,2-3H2,1H3,(H2,12,13,18)/t4-,5+,6+,8+,10-/m0/s1
InChI Key:
YITZCZFOSGQIGA-FZCTVIHWSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)N1C(=O)N=C([C@]([C@H]1O)(C)Br)N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
337.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.158g/mol
Monoisotopic Mass:
337.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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