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131933-16-9 | Adenosine, 2-(cyclohexyloxy)- (9CI)
CAS No: 131933-16-9 Catalog No: AG000ZXF MDL No:
Product Description
Catalog Number:
AG000ZXF
Chemical Name:
Adenosine, 2-(cyclohexyloxy)- (9CI)
CAS Number:
131933-16-9
Molecular Formula:
C16H23N5O5
Molecular Weight:
365.3843
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-2-cyclohexyloxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C16H23N5O5/c17-13-10-14(20-16(19-13)25-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
InChI Key:
QNBHIJKKTYKKJT-SDBHATRESA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(OC1CCCCC1)nc2N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
365.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
365.39g/mol
Monoisotopic Mass:
365.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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