Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-


Chemical Name: Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-
CAS Number: 62961-64-2
Product Number: AG003BBI(AGN-PC-0ODY9H)
Synonyms:
MDL No: MFCD00008876
Molecular Formula: C10H18O6
Molecular Weight: 234.2463

Identification/Properties


Properties
BP:
268.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Hygroscopic
Refractive Index:
n20/D 1.439(lit.)
Computed Properties
Molecular Weight:
234.248g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
234.11g/mol
Monoisotopic Mass:
234.11g/mol
Topological Polar Surface Area:
93.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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