200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 159981-08-5
159981-08-5 | Adenosine, N-benzoyl-4'-thio-
CAS No: 159981-08-5 Catalog No: AG001RK7 MDL No:
Product Description
Catalog Number:
AG001RK7
Chemical Name:
Adenosine, N-benzoyl-4'-thio-
CAS Number:
159981-08-5
Molecular Formula:
C17H17N5O4S
Molecular Weight:
387.4130
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C17H17N5O4S/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChI Key:
NZMQTSLCENJVBH-CNEMSGBDSA-N
SMILES:
OC[C@H]1S[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
387.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
387.414g/mol
Monoisotopic Mass:
387.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.