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117384-46-0 | Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1,1-dimethylethyl) ester, (2S,3S)-
CAS No: 117384-46-0 Catalog No: AG000E6U MDL No:
Product Description
Catalog Number:
AG000E6U
Chemical Name:
Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1,1-dimethylethyl) ester, (2S,3S)-
CAS Number:
117384-46-0
Molecular Formula:
C12H22O6
Molecular Weight:
262.2995
IUPAC Name:
ditert-butyl (2S,3S)-2,3-dihydroxybutanedioate
InChI:
InChI=1S/C12H22O6/c1-11(2,3)17-9(15)7(13)8(14)10(16)18-12(4,5)6/h7-8,13-14H,1-6H3/t7-,8-/m0/s1
InChI Key:
ITWOKJQQGHCDBL-YUMQZZPRSA-N
SMILES:
O[C@@H]([C@@H](C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.302g/mol
Monoisotopic Mass:
262.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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