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Home > Nitro Compounds > 83354-86-3
83354-86-3 | (4-(beta-D-Glucopyranosyloxy)phenyl)(4-nitrophenyl)methanone hydrate
CAS No: 83354-86-3 Catalog No: AG00GCS0 MDL No:
Product Description
Catalog Number:
AG00GCS0
Chemical Name:
(4-(beta-D-Glucopyranosyloxy)phenyl)(4-nitrophenyl)methanone hydrate
CAS Number:
83354-86-3
IUPAC Name:
(4-nitrophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
InChI:
InChI=1S/C19H19NO9/c21-9-14-16(23)17(24)18(25)19(29-14)28-13-7-3-11(4-8-13)15(22)10-1-5-12(6-2-10)20(26)27/h1-8,14,16-19,21,23-25H,9H2/t14-,16-,17+,18-,19-/m1/s1
InChI Key:
XDTVKCFMTFAIDV-IQZDNPOKSA-N
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
405.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
405.359g/mol
Monoisotopic Mass:
405.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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