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21017-09-4 | Guanosine, 5'-chloro-5'-deoxy-
CAS No: 21017-09-4 Catalog No: AG002KLT MDL No:
Product Description
Catalog Number:
AG002KLT
Chemical Name:
Guanosine, 5'-chloro-5'-deoxy-
CAS Number:
21017-09-4
Molecular Formula:
C10H12ClN5O4
Molecular Weight:
301.6864
IUPAC Name:
2-amino-9-[(2R,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1
InChI Key:
YBIZLKQGKRXLAZ-UUOKFMHZSA-N
SMILES:
ClC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
301.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
301.687g/mol
Monoisotopic Mass:
301.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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