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20594-00-7 | Cytidine, 3'-O-methyl-
CAS No: 20594-00-7 Catalog No: AG002AFP MDL No:
Product Description
Catalog Number:
AG002AFP
Chemical Name:
Cytidine, 3'-O-methyl-
CAS Number:
20594-00-7
Molecular Formula:
C10H15N3O5
Molecular Weight:
257.2432
IUPAC Name:
4-amino-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C10H15N3O5/c1-17-8-5(4-14)18-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1
InChI Key:
RZJCFLSPBDUNDH-ZOQUXTDFSA-N
SMILES:
CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1ccc(nc1=O)N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
257.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.246g/mol
Monoisotopic Mass:
257.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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