Name: Name:α-D-Glucopyranosyl bromide, 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,4,6-triacetate
Brand: Angene
SKU: AG002MJ1
Rating: 90 (10 reviews)

α-D-Glucopyranosyl bromide, 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,4,6-triacetate

CAS No.:

23202-66-6

Catalog Number:

AG002MJ1

Molecular Formula:

C26H35BrO17

Molecular Weight:

699.4499

Catalog Number:

AG002MJ1

Chemical Name:

α-D-Glucopyranosyl bromide, 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,4,6-triacetate

CAS Number:

23202-66-6

Molecular Formula:

C26H35BrO17

Molecular Weight:

699.4499

MDL Number:

MFCD04039452

IUPAC Name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-4-yl]oxyoxan-2-yl]methyl acetate

InChI:

InChI=1S/C26H35BrO17/c1-10(28)35-8-17-19(37-12(3)30)21(23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)20(38-13(4)31)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1

InChI Key:

OCVWJMGXJXJBCO-VRECAULFSA-N

SMILES:

CC(=O)OCC1O[C@H](Br)[C@H]([C@H]([C@@H]1OC(=O)C)O[C@@H]1OC(COC(=O)C)[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Complexity:

1090

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

698.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

699.453g/mol

Monoisotopic Mass:

698.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

212A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2