Name: Name:α-D-Galactopyranose, 2,3,4,6-tetrabenzoate 1-(2,2,2-trichloroethanimidate)
Brand: Angene
SKU: AG00199H
Rating: 90 (10 reviews)

α-D-Galactopyranose, 2,3,4,6-tetrabenzoate 1-(2,2,2-trichloroethanimidate)

CAS No.:

138479-78-4

Catalog Number:

AG00199H

Molecular Formula:

C36H28Cl3NO10

Molecular Weight:

740.9672

Catalog Number:

AG00199H

Chemical Name:

α-D-Galactopyranose, 2,3,4,6-tetrabenzoate 1-(2,2,2-trichloroethanimidate)

CAS Number:

138479-78-4

Molecular Formula:

C36H28Cl3NO10

Molecular Weight:

740.9672

MDL Number:

MFCD09841312

IUPAC Name:

[(3S,6R)-3,4,5-tribenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl benzoate

InChI:

InChI=1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26?,27-,28?,29?,34+/m0/s1

InChI Key:

KTHFOWIANASXOK-MGPYILIWSA-N

SMILES:

O=C(c1ccccc1)O[C@H]1C(COC(=O)c2ccccc2)O[C@@H](C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=N)C(Cl)(Cl)Cl

Complexity:

1170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

739.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

740.967g/mol

Monoisotopic Mass:

739.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

148A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.2