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122857-65-2 | Cytidine, 5-bromo-3'-deoxy- (9CI)
CAS No: 122857-65-2 Catalog No: AG000JMK MDL No:
Product Description
Catalog Number:
AG000JMK
Chemical Name:
Cytidine, 5-bromo-3'-deoxy- (9CI)
CAS Number:
122857-65-2
Molecular Formula:
C9H12BrN3O4
Molecular Weight:
306.1133
IUPAC Name:
4-amino-5-bromo-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H12BrN3O4/c10-5-2-13(9(16)12-7(5)11)8-6(15)1-4(3-14)17-8/h2,4,6,8,14-15H,1,3H2,(H2,11,12,16)/t4-,6+,8+/m0/s1
InChI Key:
PRZSRYXMWVXUDJ-CVTKMRTPSA-N
SMILES:
Nc1nc(=O)n(cc1Br)[C@@H]1O[C@@H](C[C@H]1O)CO
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
305.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.116g/mol
Monoisotopic Mass:
305.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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