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86762-32-5 | (2R,3S)-1,2-dihydroxy-5,6-dioxo-3-sulfooxy-hexane
CAS No: 86762-32-5 Catalog No: AG004NAU MDL No:
Product Description
Catalog Number:
AG004NAU
Chemical Name:
(2R,3S)-1,2-dihydroxy-5,6-dioxo-3-sulfooxy-hexane
CAS Number:
86762-32-5
Molecular Formula:
C6H10O8S
Molecular Weight:
242.2038
IUPAC Name:
[(2R,3S)-1,2-dihydroxy-5,6-dioxohexan-3-yl] hydrogen sulfate
InChI:
InChI=1S/C6H10O8S/c7-2-4(9)1-6(5(10)3-8)14-15(11,12)13/h2,5-6,8,10H,1,3H2,(H,11,12,13)/t5-,6+/m1/s1
InChI Key:
XLRZBEABVHKWFK-RITPCOANSA-N
SMILES:
OC[C@H]([C@@H](OS(=O)(=O)O)CC(=O)C=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.198g/mol
Monoisotopic Mass:
242.01g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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