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20710-04-7 | 2-iodobenzoyl glucuronide
CAS No: 20710-04-7 Catalog No: AG00BUMP MDL No:
Product Description
Catalog Number:
AG00BUMP
Chemical Name:
2-iodobenzoyl glucuronide
CAS Number:
20710-04-7
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-iodobenzoyl)oxyoxane-2-carboxylic acid
InChI:
InChI=1S/C13H13IO8/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13,15-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1
InChI Key:
JIYIBTDVKFKHFY-UNLLLRGISA-N
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
423.966g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
424.143g/mol
Monoisotopic Mass:
423.966g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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