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88868-69-3 | Inosine, 2-(2-phenylethenyl)-
CAS No: 88868-69-3 Catalog No: AG0049OT MDL No:
Product Description
Catalog Number:
AG0049OT
Chemical Name:
Inosine, 2-(2-phenylethenyl)-
CAS Number:
88868-69-3
Molecular Formula:
C18H18N4O5
Molecular Weight:
370.3593
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-phenylethenyl)-1H-purin-6-one
InChI:
InChI=1S/C18H18N4O5/c23-8-11-14(24)15(25)18(27-11)22-9-19-13-16(22)20-12(21-17(13)26)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,23-25H,8H2,(H,20,21,26)/t11-,14-,15-,18-/m1/s1
InChI Key:
RLNGGDDUSJZNAJ-XKLVTHTNSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C=Cc1ccccc1)nc2O
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
370.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.365g/mol
Monoisotopic Mass:
370.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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