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119824-65-6 | Adenosine, N-(2-phenoxyacetyl)-
CAS No: 119824-65-6 Catalog No: AG000PQ1 MDL No:
Product Description
Catalog Number:
AG000PQ1
Chemical Name:
Adenosine, N-(2-phenoxyacetyl)-
CAS Number:
119824-65-6
Molecular Formula:
C18H19N5O6
Molecular Weight:
401.3734
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-2-phenoxyacetamide
InChI:
InChI=1S/C18H19N5O6/c24-6-11-14(26)15(27)18(29-11)23-9-21-13-16(19-8-20-17(13)23)22-12(25)7-28-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,24,26-27H,6-7H2,(H,19,20,22,25)/t11-,14-,15-,18-/m1/s1
InChI Key:
FLHMVFSWPWAGQW-XKLVTHTNSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)COc1ccccc1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
401.134g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
401.379g/mol
Monoisotopic Mass:
401.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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