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87423-26-5 | TERT-BUTYL 2-[4-(1,2-DIHYDROXYETHYL)-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO[3.3.0]OCT-2-YL]ISOXAZOLIDINE-3-CARBOXYLATE
CAS No: 87423-26-5 Catalog No: AG004MWE MDL No:
Product Description
Catalog Number:
AG004MWE
Chemical Name:
TERT-BUTYL 2-[4-(1,2-DIHYDROXYETHYL)-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO[3.3.0]OCT-2-YL]ISOXAZOLIDINE-3-CARBOXYLATE
CAS Number:
87423-26-5
Molecular Formula:
C17H29NO8
Molecular Weight:
375.4141
IUPAC Name:
tert-butyl 2-[6-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3-carboxylate
InChI:
InChI=1S/C17H29NO8/c1-16(2,3)26-15(21)9-6-7-22-18(9)14-13-12(24-17(4,5)25-13)11(23-14)10(20)8-19/h9-14,19-20H,6-8H2,1-5H3
InChI Key:
HBSJFQZPUOSZSE-UHFFFAOYSA-N
SMILES:
OCC(C1OC(C2C1OC(O2)(C)C)N1OCCC1C(=O)OC(C)(C)C)O
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.189g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.418g/mol
Monoisotopic Mass:
375.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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