2-O-Benzyl-1,3,4,6-tetra-O-acetyl-α-D-mannopyranose - ≥98% , CAS No.80779-87-9

CAS: 80779-87-9 Cat. No.: B292315 Molecular Weight: 438.425 PubChem CID: 12775635

GRADE & PURITY ≥98%

Synonyms

1,3,4,6-Tetra-O-acetyl-2-O-benzyl-D-galactopyranose; 1,3,4,6-Tetra-O-acetyl-2-O-benzyl-a-D-mannopyranose;2-O-(Phenylmethyl)-α-D-mannopyranose 1,3,4,6-Tetraacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Used for the preparation of the corresponding bromide, to be used as an agent for the preparation of ß-mannosides.

Specifications

Synonyms

1, 3, 4, 6-Tetra-O-acetyl-2-O-benzyl-D-galactopyranose; 1, 3, 4, 6-Tetra-O-acetyl-2-O-benzyl-a-D-mannopyranose;2-O-(Phenylmethyl)-α-D-mannopyranose 1, 3, 4, 6-Tetraacetate

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,6-triacetyloxy-5-phenylmethoxyoxan-2-yl]methyl acetate
• InChIKey: NLYXGZTYODRENV-MJCUULBUSA-N
• INCHI: 1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(29-14(3)24)20(21(31-17)30-15(4)25)27-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20+,21+/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C
• PubChem CID: 12775635
• Molecular Weight: 438.425

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Flash Point(°C): 221.178ºC
• Melt Point(°C): 65-70ºC
• Molecular Weight: 438.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 438.153 Da
• Monoisotopic Mass: 438.153 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 642.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1