CAS 5405-40-3 | (S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one | CAS Number 5405-40-3

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5405-40-3 | (S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one

CAS No: 5405-40-3 Catalog No: AG003CLZ MDL No:MFCD00216625

Product Description

Catalog Number:

AG003CLZ

Chemical Name:

(S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one

CAS Number:

5405-40-3

Molecular Formula:

C6H10O3

Molecular Weight:

130.1418

MDL Number:

MFCD00216625

IUPAC Name:

(3S)-3-hydroxy-4,4-dimethyloxolan-2-one

InChI:

InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1

InChI Key:

SERHXTVXHNVDKA-SCSAIBSYSA-N

SMILES:

O[C@@H]1C(=O)OCC1(C)C

EC Number:

626-470-2

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

130.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

130.143g/mol

Monoisotopic Mass:

130.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
L-pantoyl lactone dehydrogenase from Rhodococcus erythropolis: genetic analyses and application to the stereospecific oxidation of L-pantoyl lactone.	Applied microbiology and biotechnology 20120701
Total synthesis of polycavernoside A, a lethal toxin of the red alga Polycavernosa tsudai.	The Journal of organic chemistry 20050708
Theoretical study of the stereoselective additions of chiral alcohols to ketenes.	Journal of the American Chemical Society 20040908