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85207-45-0 | Uridine, 2'-S-(4-methoxyphenyl)-2'-thio-
CAS No: 85207-45-0 Catalog No: AG004MFW MDL No:
Product Description
Catalog Number:
AG004MFW
Chemical Name:
Uridine, 2'-S-(4-methoxyphenyl)-2'-thio-
CAS Number:
85207-45-0
Molecular Formula:
C16H18N2O6S
Molecular Weight:
366.3889
IUPAC Name:
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4-methoxyphenyl)sulfanyloxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C16H18N2O6S/c1-23-9-2-4-10(5-3-9)25-14-13(21)11(8-19)24-15(14)18-7-6-12(20)17-16(18)22/h2-7,11,13-15,19,21H,8H2,1H3,(H,17,20,22)/t11-,13-,14-,15-/m1/s1
InChI Key:
BBUQKQBSMMFAEO-NMFUWQPSSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Sc1ccc(cc1)OC)n1ccc(=O)[nH]c1=O
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
366.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.388g/mol
Monoisotopic Mass:
366.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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