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1200461-78-4 | 7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-
CAS No: 1200461-78-4 Catalog No: AG000Q6P MDL No:
Product Description
Catalog Number:
AG000Q6P
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-
CAS Number:
1200461-78-4
Molecular Formula:
C11H12ClIN4O3
Molecular Weight:
410.5954
IUPAC Name:
(2R,3S,5R)-5-(2-amino-4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C11H12ClIN4O3/c12-9-8-4(13)2-17(10(8)16-11(14)15-9)7-1-5(19)6(3-18)20-7/h2,5-7,18-19H,1,3H2,(H2,14,15,16)/t5-,6+,7+/m0/s1
InChI Key:
GOQQAYXKUJSWPO-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2c1nc(N)nc2Cl)I
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
409.964g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.596g/mol
Monoisotopic Mass:
409.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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