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141018-29-3 | β-D-Ribofuranuronamide, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-N-ethyl-
CAS No: 141018-29-3 Catalog No: AG001FQZ MDL No:
Product Description
Catalog Number:
AG001FQZ
Chemical Name:
β-D-Ribofuranuronamide, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-N-ethyl-
CAS Number:
141018-29-3
Molecular Formula:
C12H15IN6O4
Molecular Weight:
434.1898
IUPAC Name:
(2S,3R,5R)-5-(6-amino-2-iodopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
InChI:
InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6?,7+,11-/m1/s1
InChI Key:
YEBHQRSEUJCFMN-MYLVMTIQSA-N
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(I)nc2N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
434.02g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
434.194g/mol
Monoisotopic Mass:
434.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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