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113886-71-8 | Cytidine, N-acetyl-2'-O-methyl-
CAS No: 113886-71-8 Catalog No: AG0009ZI MDL No:
Product Description
Catalog Number:
AG0009ZI
Chemical Name:
Cytidine, N-acetyl-2'-O-methyl-
CAS Number:
113886-71-8
Molecular Formula:
C12H17N3O6
Molecular Weight:
299.2799
IUPAC Name:
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI:
InChI=1S/C12H17N3O6/c1-6(17)13-8-3-4-15(12(19)14-8)11-10(20-2)9(18)7(5-16)21-11/h3-4,7,9-11,16,18H,5H2,1-2H3,(H,13,14,17,19)/t7-,9-,10-,11-/m1/s1
InChI Key:
CYDFBLGNJUNSCC-QCNRFFRDSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)NC(=O)C)CO
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
299.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.283g/mol
Monoisotopic Mass:
299.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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