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132628-16-1 | Guanosine, N-(2-phenylacetyl)-
CAS No: 132628-16-1 Catalog No: AG0010WN MDL No:MFCD06657651
Product Description
Catalog Number:
AG0010WN
Chemical Name:
Guanosine, N-(2-phenylacetyl)-
CAS Number:
132628-16-1
Molecular Formula:
C18H19N5O6
Molecular Weight:
401.3734
MDL Number:
MFCD06657651
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-phenylacetamide
InChI:
InChI=1S/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1
InChI Key:
IRSCBAKCFOLZNC-IWCJZZDYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NC(=O)Cc1ccccc1)[nH]c2=O
EC Number:
603-646-7
Properties
Complexity:
669
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:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
401.379g/mol
Monoisotopic Mass:
401.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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