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Home > Nitro Compounds > 700368-52-1
700368-52-1 | (4-Nitrophenyl)methyl-beta-D-glucopyranoside
CAS No: 700368-52-1 Catalog No: AG00FGFE MDL No:
Product Description
Catalog Number:
AG00FGFE
Chemical Name:
(4-Nitrophenyl)methyl-beta-D-glucopyranoside
CAS Number:
700368-52-1
IUPAC Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]oxane-3,4,5-triol
InChI:
InChI=1S/C13H17NO8/c15-5-9-10(16)11(17)12(18)13(22-9)21-6-7-1-3-8(4-2-7)14(19)20/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChI Key:
WDXXNSLGRCTMAE-UJPOAAIJSA-N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
315.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
315.278g/mol
Monoisotopic Mass:
315.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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