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117384-45-9

117384-45-9 | Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-bis(1,1-dimethylethyl) ester

CAS No: 117384-45-9 Catalog No: AG000E6V MDL No:MFCD00192000

Product Description

Catalog Number:
AG000E6V
Chemical Name:
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-bis(1,1-dimethylethyl) ester
CAS Number:
117384-45-9
Molecular Formula:
C12H22O6
Molecular Weight:
262.2995
MDL Number:
MFCD00192000
IUPAC Name:
ditert-butyl (2R,3R)-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-/m1/s1
InChI Key:
ITWOKJQQGHCDBL-HTQZYQBOSA-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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