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Home > Nitro Compounds > 3767-28-0
3767-28-0 | a-D-Glucopyranoside, 4-nitrophenyl
CAS No: 3767-28-0 Catalog No: AG00I7FC MDL No:MFCD00064088
Product Description
Catalog Number:
AG00I7FC
Chemical Name:
a-D-Glucopyranoside, 4-nitrophenyl
CAS Number:
3767-28-0
Molecular Formula:
C12H15NO8
Molecular Weight:
301.2494
MDL Number:
MFCD00064088
IUPAC Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChI Key:
IFBHRQDFSNCLOZ-ZIQFBCGOSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
EC Number:
223-189-3
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
301.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
301.251g/mol
Monoisotopic Mass:
301.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
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