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165381-68-0 | Uridine, 5-methyl-3-[(phenylmethoxy)methyl]- (9CI)
CAS No: 165381-68-0 Catalog No: AG001W48 MDL No:
Product Description
Catalog Number:
AG001W48
Chemical Name:
Uridine, 5-methyl-3-[(phenylmethoxy)methyl]- (9CI)
CAS Number:
165381-68-0
Molecular Formula:
C18H22N2O7
Molecular Weight:
378.3765
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C18H22N2O7/c1-11-7-19(17-15(23)14(22)13(8-21)27-17)18(25)20(16(11)24)10-26-9-12-5-3-2-4-6-12/h2-7,13-15,17,21-23H,8-10H2,1H3/t13-,14-,15-,17-/m1/s1
InChI Key:
HMCPKVKDIXXTEF-KCYZZUKISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(=O)n(c1=O)COCc1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
378.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
378.381g/mol
Monoisotopic Mass:
378.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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