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117151-31-2 | Adenosine, 8-chloro-3'-deoxy- (9CI)
CAS No: 117151-31-2 Catalog No: AG000DTN MDL No:
Product Description
Catalog Number:
AG000DTN
Chemical Name:
Adenosine, 8-chloro-3'-deoxy- (9CI)
CAS Number:
117151-31-2
Molecular Formula:
C10H12ClN5O3
Molecular Weight:
285.6870
IUPAC Name:
2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C10H12ClN5O3/c11-10-15-6-7(12)13-3-14-8(6)16(10)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H2,12,13,14)
InChI Key:
CKUDKNHBFBCOJN-UHFFFAOYSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1c(Cl)nc2c1ncnc2N)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.688g/mol
Monoisotopic Mass:
285.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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