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Home > Nitro Compounds > 99482-86-7
99482-86-7 | (2S,3R,4S,5R)-2-[4-[(3-NITROPHENYL)METHYL]PHENOXY]OXANE-3,4,5-TRIOL
CAS No: 99482-86-7 Catalog No: AG005SAZ MDL No:
Product Description
Catalog Number:
AG005SAZ
Chemical Name:
(2S,3R,4S,5R)-2-[4-[(3-NITROPHENYL)METHYL]PHENOXY]OXANE-3,4,5-TRIOL
CAS Number:
99482-86-7
Molecular Formula:
C18H19NO7
Molecular Weight:
361.3460
IUPAC Name:
(2S,3R,4S,5R)-2-[4-[(3-nitrophenyl)methyl]phenoxy]oxane-3,4,5-triol
InChI:
InChI=1S/C18H19NO7/c20-15-10-25-18(17(22)16(15)21)26-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)19(23)24/h1-7,9,15-18,20-22H,8,10H2/t15-,16+,17-,18+/m1/s1
InChI Key:
FAWBZBIXFCVRGY-XDNAFOTISA-N
SMILES:
O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)Oc1ccc(cc1)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
361.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
361.35g/mol
Monoisotopic Mass:
361.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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