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124655-09-0 | D-erythro-Hexonic acid, 2,4-dideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester
CAS No: 124655-09-0 Catalog No: AG000MJP MDL No:MFCD08063915
Product Description
Catalog Number:
AG000MJP
Chemical Name:
D-erythro-Hexonic acid, 2,4-dideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester
CAS Number:
124655-09-0
Molecular Formula:
C13H24O5
Molecular Weight:
260.3267
MDL Number:
MFCD08063915
IUPAC Name:
tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI:
InChI=1S/C13H24O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10,14H,6-8H2,1-5H3/t9-,10+/m1/s1
InChI Key:
CFRUAOXMCVQMFP-ZJUUUORDSA-N
SMILES:
OC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
EC Number:
432-960-5
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.33g/mol
Monoisotopic Mass:
260.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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