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149359-04-6 | Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-4'-thio- (9CI)
CAS No: 149359-04-6 Catalog No: AG001LM4 MDL No:
Product Description
Catalog Number:
AG001LM4
Chemical Name:
Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-4'-thio- (9CI)
CAS Number:
149359-04-6
Molecular Formula:
C30H30N2O7S
Molecular Weight:
562.6334
IUPAC Name:
1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxythiolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C30H30N2O7S/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26-,27-,28-/m1/s1
InChI Key:
JZVLKOVOXIAQBR-YULOIDQLSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1S[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
562.177g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
562.637g/mol
Monoisotopic Mass:
562.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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