Neoagarooctaose

CAS	25023-94-3
Synonyms	D-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)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-galactose
IUPAC Name	(2R,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,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]-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	1243.1
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)OC1C2COC1C(C(O2)OC1C(C(OC(C1O)O)CO)O)O)CO)O)O)CO)O)O)CO)O)O)O
InChI	InChI=1S/C48H74O37/c49-1-9-17(53)34(22(58)41(66)71-9)82-46-27(63)38-30(14(76-46)6-68-38)79-44-25(61)36(19(55)11(3-51)73-44)84-48-29(65)40-32(16(78-48)8-70-40)81-45-26(62)37(20(56)12(4-52)74-45)85-47-28(64)39-31(15(77-47)7-69-39)80-43-24(60)35(18(54)10(2-50)72-43)83-42-23(59)33-21(57)13(75-42)5-67-33/h9-66H,1-8H2/t9-,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+,37+,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+/m1/s1
InChI Key	JRTINZGCDQSXMS-ORIZPBECSA-N
Purity	98%+
Solubility	Soluble in water
Complexity	2200
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	40
Exact Mass	1242.3908933
Heavy Atom Count	85
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](O[C@H]([C@@H]9O)O[C@@H]1[C@@H]2CO[C@H]1[C@@H]([C@@H](O2)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O)O)CO)O)O)CO)O)O)CO)O)O)O
Monoisotopic Mass	1242.3908933
Physical State	Powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	540 Ų