Home Aminos β-D-Glucopyranoside, 2-naphthalenylmethyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate

β-D-Glucopyranoside, 2-naphthalenylmethyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate

CAS No.:
190181-66-9
Catalog Number:
AG002ED4
Molecular Formula:
C25H29NO9
Molecular Weight:
487.4991
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Product Description
Catalog Number:
AG002ED4
Chemical Name:
β-D-Glucopyranoside, 2-naphthalenylmethyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS Number:
190181-66-9
Molecular Formula:
C25H29NO9
Molecular Weight:
487.4991
MDL Number:
MFCD08703865
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(naphthalen-2-ylmethoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C25H29NO9/c1-14(27)26-22-24(34-17(4)30)23(33-16(3)29)21(13-31-15(2)28)35-25(22)32-12-18-9-10-19-7-5-6-8-20(19)11-18/h5-11,21-25H,12-13H2,1-4H3,(H,26,27)/t21-,22-,23-,24-,25-/m1/s1
InChI Key:
ATDNOJRGVAVGOC-FXEFVXDJSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](OCc2ccc3c(c2)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity:
772  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
487.184g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
487.505g/mol
Monoisotopic Mass:
487.184g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties