Neoagarohexaose

Catalog Number

ACM25023932

Product Name

Neoagarohexaose

Structure

CAS

25023-93-2

Category

Heterocyclic Organic Compound

Synonyms

O-3,6-Anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-D-galactose

IUPAC Name

(3R,4S,5S,6R)-4-[[(1S,3S,4R,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4R,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4R,5R,8R)-4,8-Dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol

Molecular Weight

936.8

Molecular Formula

C₃₆H₅₆O₂₈

Canonical SMILES

C1C2C(C(O1)C(C(O2)OC3C(C(OC(C3O)OC4C5COC4C(C(O5)OC6C(C(OC(C6O)OC7C8COC7C(C(O8)OC9C(C(OC(C9O)O)CO)O)O)CO)O)O)CO)O)O)O

InChI

InChI=1S/C36H56O28/c37-1-7-13(40)26(17(44)31(50)54-7)62-35-21(48)29-23(11(58-35)5-52-29)60-34-20(47)28(15(42)9(3-39)56-34)64-36-22(49)30-24(12(59-36)6-53-30)61-33-19(46)27(14(41)8(2-38)55-33)63-32-18(45)25-16(43)10(57-32)4-51-25/h7-50H,1-6H2/t7-,8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31?,32+,33+,34+,35+,36+/m1/s1

InChI Key

LOMHJQQPLUAPJB-RNPXLKRFSA-N

Density

1.81±0.1 g/cm³

Solubility

Soluble in water

Complexity

1560

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

29

Exact Mass

936.29581113

Heavy Atom Count

64

Isomeric SMILES

C1[C@H]2[C@H]([C@@H](O1)[C@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@@H]8CO[C@H]7[C@H]([C@@H](O8)O[C@H]9[C@H]([C@H](OC([C@@H]9O)O)CO)O)O)CO)O)O)CO)O)O)O

Monoisotopic Mass

936.29581113

Physical State

White to light yellow powder

Storage Conditions

-20 °C

Topological Polar Surface Area

412 Ų

MSDS

COA

Spec Sheet