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122970-38-1 | Adenosine, 2',3'-dideoxy-2-iodo-
CAS No: 122970-38-1 Catalog No: AG000JUJ MDL No:
Product Description
Catalog Number:
AG000JUJ
Chemical Name:
Adenosine, 2',3'-dideoxy-2-iodo-
CAS Number:
122970-38-1
Molecular Formula:
C10H12IN5O2
Molecular Weight:
361.1390
IUPAC Name:
[(2S,5R)-5-(6-amino-2-iodopurin-9-yl)oxolan-2-yl]methanol
InChI:
InChI=1S/C10H12IN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChI Key:
LFHDAOZGSUAZDC-NTSWFWBYSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(I)nc2N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
361.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.143g/mol
Monoisotopic Mass:
361.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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