CAS
903574-98-1 Purity
96%
903574-98-1 Purity
96%
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O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate
CAS
90358-01-3
Catalog Number
ACM90358013
Category
Other Products
Molecular Weight
685.03
Molecular Formula
C36H36Cl3NO6
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Specification
Synonyms
O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE
What is the molecular formula of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The molecular formula is C36H36Cl3NO6.
What is the molecular weight of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The molecular weight is 685.0 g/mol.
What is the IUPAC name of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The IUPAC name is [(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-trichloroethanimidate.
What is the InChI of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The InChI is InChI=1S/C36H36Cl3NO6/c37-36(38,39)35(40)46-34-33(44-24-29-19-11-4-12-20-29)32(43-23-28-17-9-3-10-18-28)31(42-22-27-15-7-2-8-16-27)30(45-34)25-41-21-26-13-5-1-6-14-26/h1-20,30-34,40H,21-25H2/t30-,31+,32+,33-,34-/m1/s1.
What is the Canonical SMILES of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The Canonical SMILES is C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC(=N)C(Cl)(Cl)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.
How many hydrogen bond donor counts are there in O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The XLogP3-AA value is 7.5.
How many hydrogen bond acceptor counts are there in O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
There are 7 hydrogen bond acceptor counts.
What is the topological polar surface area of O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate?
The topological polar surface area is 79.2?2.
Is O-(2,3,4,6-Tetra-O-benzyl-alpha-D-galactopyranosyl)trichloroacetimidate a canonicalized compound?
Yes, the compound is canonicalized.
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