200,000+ products from a single source!
sales@angenechem.com
114451-11-5 | Inosine, 8-(6-chrysenylamino)-2'-deoxy- (9CI)
CAS No: 114451-11-5 Catalog No: AG000EFM MDL No:
Product Description
Catalog Number:
AG000EFM
Chemical Name:
Inosine, 8-(6-chrysenylamino)-2'-deoxy- (9CI)
CAS Number:
114451-11-5
Molecular Formula:
C28H23N5O4
Molecular Weight:
493.5133
IUPAC Name:
8-(chrysen-6-ylamino)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C28H23N5O4/c34-13-23-22(35)12-24(37-23)33-26-25(27(36)30-14-29-26)32-28(33)31-21-11-20-16-6-2-1-5-15(16)9-10-18(20)17-7-3-4-8-19(17)21/h1-11,14,22-24,34-35H,12-13H2,(H,31,32)(H,29,30,36)
InChI Key:
LTXJFCWUXRYUJV-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(Nc2cc3c(c4c2cccc4)ccc2c3cccc2)nc2c1ncnc2O
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.175g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
493.523g/mol
Monoisotopic Mass:
493.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.