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30685-66-6 | 5'-DEOXY-2',3'-O-ISOPROPYLIDENE-5'-IODO-ADENOSINE
CAS No: 30685-66-6 Catalog No: AG00C3OT MDL No:
Product Description
Catalog Number:
AG00C3OT
Chemical Name:
5'-DEOXY-2',3'-O-ISOPROPYLIDENE-5'-IODO-ADENOSINE
CAS Number:
30685-66-6
IUPAC Name:
9-[(3aR,4R,6S,6aS)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
InChI:
InChI=1S/C13H16IN5O3/c1-13(2)21-8-6(3-14)20-12(9(8)22-13)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12H,3H2,1-2H3,(H2,15,16,17)/t6-,8-,9-,12-/m1/s1
InChI Key:
DPEHZPBZYGVHMH-WOUKDFQISA-N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
417.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.207g/mol
Monoisotopic Mass:
417.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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