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162745-53-1 | Uridine, 2'-deoxy-5-ethynyl-5'-O-[(4-methoxyphenyl)diphenylmethyl]-
CAS No: 162745-53-1 Catalog No: AG001TEG MDL No:
Product Description
Catalog Number:
AG001TEG
Chemical Name:
Uridine, 2'-deoxy-5-ethynyl-5'-O-[(4-methoxyphenyl)diphenylmethyl]-
CAS Number:
162745-53-1
Molecular Formula:
C31H28N2O6
Molecular Weight:
524.5638
IUPAC Name:
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C31H28N2O6/c1-3-21-19-33(30(36)32-29(21)35)28-18-26(34)27(39-28)20-38-31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-14-16-25(37-2)17-15-24/h1,4-17,19,26-28,34H,18,20H2,2H3,(H,32,35,36)/t26-,27+,28+/m0/s1
InChI Key:
FWQOXVGNJUSCFV-UPRLRBBYSA-N
SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O
Properties
Complexity:
933
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
524.195g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
524.573g/mol
Monoisotopic Mass:
524.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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