200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88011-07-8
88011-07-8 | Adenosine, N-benzoyl-2-(ethylthio)-
CAS No: 88011-07-8 Catalog No: AG004H0I MDL No:
Product Description
Catalog Number:
AG004H0I
Chemical Name:
Adenosine, N-benzoyl-2-(ethylthio)-
CAS Number:
88011-07-8
Molecular Formula:
C19H21N5O5S
Molecular Weight:
431.4655
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-ethylsulfanylpurin-6-yl]benzamide
InChI:
InChI=1S/C19H21N5O5S/c1-2-30-19-22-15(21-17(28)10-6-4-3-5-7-10)12-16(23-19)24(9-20-12)18-14(27)13(26)11(8-25)29-18/h3-7,9,11,13-14,18,25-27H,2,8H2,1H3,(H,21,22,23,28)/t11-,13-,14-,18-/m1/s1
InChI Key:
IESLGNADJYFWCC-XWXWGSFUSA-N
SMILES:
CCSc1nc(NC(=O)c2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
431.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
431.467g/mol
Monoisotopic Mass:
431.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.