200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114429-57-1
114429-57-1 | Adenosine, N-benzoyl-3'-O-(tetrahydro-2H-pyran-2-yl)-, (R)- (9CI)
CAS No: 114429-57-1 Catalog No: AG000BAY MDL No:
Product Description
Catalog Number:
AG000BAY
Chemical Name:
Adenosine, N-benzoyl-3'-O-(tetrahydro-2H-pyran-2-yl)-, (R)- (9CI)
CAS Number:
114429-57-1
Molecular Formula:
C22H25N5O6
Molecular Weight:
455.4638
IUPAC Name:
N-[9-[3-hydroxy-5-(hydroxymethyl)-4-(oxan-2-yloxy)oxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C22H25N5O6/c28-10-14-18(33-15-8-4-5-9-31-15)17(29)22(32-14)27-12-25-16-19(23-11-24-20(16)27)26-21(30)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15,17-18,22,28-29H,4-5,8-10H2,(H,23,24,26,30)
InChI Key:
RNLGJGZKKCXMSM-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1OC1CCCCO1)O)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.18g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
455.471g/mol
Monoisotopic Mass:
455.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.