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Home > Boronic Acids > 1427171-69-4
1427171-69-4 | (5R,6S)-5-(hydroxymethyl)-11-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4,8-dioxa-2-azatricyclo[7.4.0.0?,?]trideca-1(13),9,11-trien-3-one
CAS No: 1427171-69-4 Catalog No: AG01DXVQ MDL No:
Product Description
Catalog Number:
AG01DXVQ
Chemical Name:
(5R,6S)-5-(hydroxymethyl)-11-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4,8-dioxa-2-azatricyclo[7.4.0.0?,?]trideca-1(13),9,11-trien-3-one
CAS Number:
1427171-69-4
IUPAC Name:
(3aS)-3-(hydroxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
InChI:
InChI=1S/C17H22BNO6/c1-16(2)17(3,4)25-18(24-16)10-5-6-11-13(7-10)22-9-12-14(8-20)23-15(21)19(11)12/h5-7,12,14,20H,8-9H2,1-4H3/t12-,14?/m0/s1
InChI Key:
NIFOUKIHNJPUOK-NBFOIZRFSA-N
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.174g/mol
Monoisotopic Mass:
347.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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