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137896-07-2 | Adenosine, 2-octyl- (9CI)
CAS No: 137896-07-2 Catalog No: AG00141L MDL No:
Product Description
Catalog Number:
AG00141L
Chemical Name:
Adenosine, 2-octyl- (9CI)
CAS Number:
137896-07-2
Molecular Formula:
C18H29N5O4
Molecular Weight:
379.4540
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-2-octylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C18H29N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
InChI Key:
MNZDTQPQUDHCOK-XKLVTHTNSA-N
SMILES:
CCCCCCCCc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
379.222g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
379.461g/mol
Monoisotopic Mass:
379.222g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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