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80035-31-0 | Benzyl 2-Deoxy-2-phthalimido-3,4,6-tri-O-acetyl-β-D-glucopyranoside
CAS No: 80035-31-0 Catalog No: AG005DLK MDL No:
Product Description
Catalog Number:
AG005DLK
Chemical Name:
Benzyl 2-Deoxy-2-phthalimido-3,4,6-tri-O-acetyl-β-D-glucopyranoside
CAS Number:
80035-31-0
Molecular Formula:
C27H27NO10
Molecular Weight:
525.5040
IUPAC Name:
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-phenylmethoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C27H27NO10/c1-15(29)34-14-21-23(36-16(2)30)24(37-17(3)31)22(27(38-21)35-13-18-9-5-4-6-10-18)28-25(32)19-11-7-8-12-20(19)26(28)33/h4-12,21-24,27H,13-14H2,1-3H3/t21-,22-,23-,24-,27-/m1/s1
InChI Key:
ZBWDFGPGCXFUBR-XMPCBSOPSA-N
SMILES:
CC(=O)OCC1O[C@@H](OCc2ccccc2)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
892
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
525.163g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.51g/mol
Monoisotopic Mass:
525.163g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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