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116113-19-0 | Adenosine, N-(4-methoxybenzoyl)-3'-O-(tetrahydro-2H-pyran-2-yl)- (9CI)
CAS No: 116113-19-0 Catalog No: AG000BOG MDL No:
Product Description
Catalog Number:
AG000BOG
Chemical Name:
Adenosine, N-(4-methoxybenzoyl)-3'-O-(tetrahydro-2H-pyran-2-yl)- (9CI)
CAS Number:
116113-19-0
Molecular Formula:
C23H27N5O7
Molecular Weight:
485.4898
IUPAC Name:
N-[9-[3-hydroxy-5-(hydroxymethyl)-4-(oxan-2-yloxy)oxolan-2-yl]purin-6-yl]-4-methoxybenzamide
InChI:
InChI=1S/C23H27N5O7/c1-32-14-7-5-13(6-8-14)22(31)27-20-17-21(25-11-24-20)28(12-26-17)23-18(30)19(15(10-29)34-23)35-16-4-2-3-9-33-16/h5-8,11-12,15-16,18-19,23,29-30H,2-4,9-10H2,1H3,(H,24,25,27,31)
InChI Key:
JZUBRMYCNNZWCL-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1OC1CCCCO1)O)n1cnc2c1ncnc2NC(=O)c1ccc(cc1)OC
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.191g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
485.497g/mol
Monoisotopic Mass:
485.191g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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