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124498-87-9 | Adenosine, 2-[[2-(1-cyclohexen-1-yl)ethyl]amino]-
CAS No: 124498-87-9 Catalog No: AG000M46 MDL No:
Product Description
Catalog Number:
AG000M46
Chemical Name:
Adenosine, 2-[[2-(1-cyclohexen-1-yl)ethyl]amino]-
CAS Number:
124498-87-9
Molecular Formula:
C18H26N6O4
Molecular Weight:
390.4368
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-2-[2-(cyclohexen-1-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17-/m1/s1
InChI Key:
SLUGAKUMOFIJEH-LSCFUAHRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCC1=CCCCC1)nc2N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
390.202g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
390.444g/mol
Monoisotopic Mass:
390.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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