Home Nitro Compounds 102717-16-8
102717-16-8,MFCD04039645
Catalog No.:AA00084T
102717-16-8 | β-D-Mannopyranoside, 4-nitrophenyl 4,6-O-cyclohexylidene-
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Technical Information
Catalog Number:
AA00084T
Chemical Name:
β-D-Mannopyranoside, 4-nitrophenyl 4,6-O-cyclohexylidene-
CAS Number:
102717-16-8
Molecular Formula:
C18H23NO8
Molecular Weight:
381.3771
MDL Number:
MFCD04039645
IUPAC Name:
(4aR,6S,7S,8R,8aS)-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7,8-diol
InChI:
InChI=1S/C18H23NO8/c20-14-15(21)17(25-12-6-4-11(5-7-12)19(22)23)26-13-10-24-18(27-16(13)14)8-2-1-3-9-18/h4-7,13-17,20-21H,1-3,8-10H2/t13-,14-,15+,16-,17-/m1/s1
InChI Key:
ISZQEKQIBZZACU-NQNKBUKLSA-N
SMILES:
OC1C(OC2C(C1O)OC1(OC2)CCCCC1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
381.142g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
381.381g/mol
Monoisotopic Mass:
381.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
102717-16-8 
4-Nitrophenyl 4,6-cyclohexylidene-b-D-mannopyranoside 
ZINC44021677 
W0369 
4-Nitrophenyl 4,6-cyclohexylidene-beta-D-mannopyranoside 
p-Nitrophenyl 4,6-Cyclohexylidene-|A-D-mannopyranoside 
4-Nitrophenyl 4,6-cyclohexylidene-I(2)-D-mannopyranoside 
C18H23NO8 
4-Nitrophenyl 4,6-O-cyclohexylidene-beta-D-mannopyranoside 
Literature
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