Home Aminos β-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-

β-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-

CAS No.:
14040-20-1
Catalog Number:
AG001CCZ
Molecular Formula:
C29H31NO6
Molecular Weight:
489.5595
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Product Description
Catalog Number:
AG001CCZ
Chemical Name:
β-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-
CAS Number:
14040-20-1
Molecular Formula:
C29H31NO6
Molecular Weight:
489.5595
MDL Number:
MFCD02094201
IUPAC Name:
N-[(4aR,6R,7R,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
InChI:
InChI=1S/C29H31NO6/c1-20(31)30-25-27(32-17-21-11-5-2-6-12-21)26-24(19-34-28(36-26)23-15-9-4-10-16-23)35-29(25)33-18-22-13-7-3-8-14-22/h2-16,24-29H,17-19H2,1H3,(H,30,31)/t24-,25-,26-,27-,28?,29-/m1/s1
InChI Key:
LMMOQGCMJGSYAM-YXMKFHFFSA-N
SMILES:
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)OC2[C@H]([C@@H]1OCc1ccccc1)OC(OC2)c1ccccc1
Properties
Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
489.215g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
489.568g/mol
Monoisotopic Mass:
489.215g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties