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250674-88-5

250674-88-5 | α-D-Glucopyranoside, 4-nitrophenyl 4,6-O-(phenylmethylene)-

CAS No: 250674-88-5 Catalog No: AG002QCQ MDL No:

Product Description

Catalog Number:
AG002QCQ
Chemical Name:
α-D-Glucopyranoside, 4-nitrophenyl 4,6-O-(phenylmethylene)-
CAS Number:
250674-88-5
Molecular Formula:
C19H19NO8
Molecular Weight:
389.3561
IUPAC Name:
(4aR,6R,7R,8R,8aS)-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
InChI:
InChI=1S/C19H19NO8/c21-15-16(22)19(26-13-8-6-12(7-9-13)20(23)24)27-14-10-25-18(28-17(14)15)11-4-2-1-3-5-11/h1-9,14-19,21-22H,10H2/t14-,15-,16-,17-,18?,19+/m1/s1
InChI Key:
BGBDVEKOBCWPHZ-LELVVPQVSA-N
SMILES:
O[C@H]1[C@H](O[C@H]2[C@H]([C@@H]1O)OC(OC2)c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.111g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
389.36g/mol
Monoisotopic Mass:
389.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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