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877643-26-0 | Uridine, 2'-deoxy-5-[3-(3-perylenylmethoxy)-1-propynyl]-
CAS No: 877643-26-0 Catalog No: AG004IDE MDL No:
Product Description
Catalog Number:
AG004IDE
Chemical Name:
Uridine, 2'-deoxy-5-[3-(3-perylenylmethoxy)-1-propynyl]-
CAS Number:
877643-26-0
Molecular Formula:
C33H26N2O6
Molecular Weight:
546.5693
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(perylen-3-ylmethoxy)prop-1-ynyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C33H26N2O6/c36-17-28-27(37)15-29(41-28)35-16-20(32(38)34-33(35)39)7-4-14-40-18-21-12-13-26-24-10-2-6-19-5-1-9-23(30(19)24)25-11-3-8-22(21)31(25)26/h1-3,5-6,8-13,16,27-29,36-37H,14-15,17-18H2,(H,34,38,39)/t27-,28+,29+/m0/s1
InChI Key:
FPESDJMZBWCOSW-ZGIBFIJWSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCOCc2ccc3c4c2cccc4c2c4c3cccc4ccc2)c(=O)[nH]c1=O
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
546.179g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
546.579g/mol
Monoisotopic Mass:
546.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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