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158966-50-8 | Cytidine, N-benzoyl-5-methyl-2'-O-methyl- (9CI)
CAS No: 158966-50-8 Catalog No: AG001R1L MDL No:
Product Description
Catalog Number:
AG001R1L
Chemical Name:
Cytidine, N-benzoyl-5-methyl-2'-O-methyl- (9CI)
CAS Number:
158966-50-8
Molecular Formula:
C18H21N3O6
Molecular Weight:
375.3758
IUPAC Name:
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
InChI:
InChI=1S/C18H21N3O6/c1-10-8-21(17-14(26-2)13(23)12(9-22)27-17)18(25)20-15(10)19-16(24)11-6-4-3-5-7-11/h3-8,12-14,17,22-23H,9H2,1-2H3,(H,19,20,24,25)/t12-,13-,14-,17-/m1/s1
InChI Key:
ZETRQTRYIDJFPT-VMUDFCTBSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C)c(nc1=O)NC(=O)c1ccccc1)CO
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
375.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.381g/mol
Monoisotopic Mass:
375.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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