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2-Phthalimidolactosamine, heptaacetate

CAT: 0013-GTR19246947-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246947-01Size:100 mg
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Description
2-Phthalimidolactosamine, heptaacetate (mixture of isomers) is a biochemical reagent used in glycobiology research. Glycobiology mainly studies the structure, synthesis, biological function and evolution of sugars, including carbohydrate chemistry, the function of enzymes that synthesize and degrade glycans, the mutual recognition between proteins and glycans, and the role of glycans in biological systems. This field is closely related to basic research, biomedicine and biotechnology.
CAS Number
129647-37-6
Smiles
CC (O[C@@H]1[C@@H] (N2C (C3=CC=CC=C3C2=O) =O) C (O[C@@H] ([C@H]1O[C@H]4[C@@H] ([C@H] ([C@H] ([C@H] (O4) COC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) COC (C) =O) OC (C) =O) =O
Molecular Formula
C34H39NO19
Molecular Weight
765.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,6-Tri-O-acetyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucopyranose
CAS Number129647-37-6
PubChem CID71751658
IUPAC Name[(2R,3S,4R,5R)-4,6-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Molecular FormulaC34H39NO19
Molecular Weight765.7
XLogP0.1
Topological Polar Surface Area249
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count19
Rotatable Bond Count19
Heavy Atom Count54
Formal Charge0
Complexity1470
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C34H39NO19/c1-14(36)45-12-23-26(54-34-30(50-19(6)41)29(49-18(5)40)27(47-16(3)38)24(53-34)13-46-15(2)37)28(48-17(4)39)25(33(52-23)51-20(7)42)35-31(43)21-10-8-9-11-22(21)32(35)44/h8-11,23-30,33-34H,12-13H2,1-7H3/t23-,24-,25-,26-,27+,28-,29+,30-,33?,34+/m1/s1
InChIKey
AOLPEHDFTRGREH-AIDILWASSA-N
Chemical Structure
2D Structure
2D structure of 1,3,6-Tri-O-acetyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucopyranose
CAS: 129647-37-6
CID: 71751658
Formula: C34H39NO19
MW: 765.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.7
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count19
Rotatable Bond Count19
Exact Mass765.21162801
Monoisotopic Mass765.21162801
Topological Polar Surface Area249 Ų
Heavy Atom Count54
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TSW-00708-012-Phthalimidolactosamine, heptaacetate
sc-213896C2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers)
GC3441-50mg2-Azidoethyl β-D-lactoside heptaacetate
GC8520-250mg2-Chloroethyl β-D-lactoside heptaacetate
GC0206-250mg2-Nitrophenyl b-D-cellobioside heptaacetate
sc-470442β-D-Lactopyranoside 1- (2,2,2-Trichloroethanimidate) Heptaacetate
MBS6042359-01beta-D-Lactopyranoside 1-(2,2,2-Trichloroethanimidate) Heptaacetate
MBS6070219-012-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) (1,3,6-Tri-O-acetyl-4- (2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl) -2-deoxy-2-phthalimido-a-D-galactopyranose)
GC8890-10gD-Maltose 2,2'',3,3'',4'',6,6''-heptaacetate
ON08095-01Neohesperidose heptaacetate

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