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119644-21-2 | Adenosine, 2',3'-diazido-2',3'-dideoxy-
CAS No: 119644-21-2 Catalog No: AG000PDW MDL No:
Product Description
Catalog Number:
AG000PDW
Chemical Name:
Adenosine, 2',3'-diazido-2',3'-dideoxy-
CAS Number:
119644-21-2
Molecular Formula:
C10H11N11O2
Molecular Weight:
317.2668
IUPAC Name:
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-diazidooxolan-2-yl]methanol
InChI:
InChI=1S/C10H11N11O2/c11-8-7-9(15-2-14-8)21(3-16-7)10-6(18-20-13)5(17-19-12)4(1-22)23-10/h2-6,10,22H,1H2,(H2,11,14,15)/t4-,5-,6-,10-/m1/s1
InChI Key:
WQZLKYFRGKFHEZ-PLDPKQSISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1N=[N+]=[N-])N=[N+]=[N-])n1cnc2c1ncnc2N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
317.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.273g/mol
Monoisotopic Mass:
317.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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