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71819-06-2 | 9H-Purine,6-iodo-9-(tetrahydro-2H-pyran-2-yl)-
CAS No: 71819-06-2 Catalog No: AG0062AI MDL No:
Product Description
Catalog Number:
AG0062AI
Chemical Name:
9H-Purine,6-iodo-9-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
71819-06-2
Molecular Formula:
C10H11IN4O
Molecular Weight:
330.1250
IUPAC Name:
6-iodo-9-(oxan-2-yl)purine
InChI:
InChI=1S/C10H11IN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2
InChI Key:
HNUHHIIBWXRPEV-UHFFFAOYSA-N
SMILES:
Ic1ncnc2c1ncn2C1CCCCO1
NSC Number:
33188
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.129g/mol
Monoisotopic Mass:
329.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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