Neoagarobiose

CAS	484-58-2
Structure
Synonyms	O-3,6-Anhydro-alpha-L-galactopyranosyl(1-3)-D-galactose
IUPAC Name	(2R,3S,4S,5R)-3-[[(1S,3S,4S,5R)-4,8-Dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal
Molecular Weight	324.28
Canonical SMILES	C1C2C(C(O1)C(C(O2)OC(C(C=O)O)C(C(CO)O)O)O)O
InChI	InChI=1S/C12H20O10/c13-1-4(15)7(17)10(5(16)2-14)22-12-9(19)11-8(18)6(21-12)3-20-11/h2,4-13,15-19H,1,3H2/t4-,5+,6+,7+,8,9+,10-,11-,12+/m1/s1
InChI Key	ILLZAAKBNPACJI-UOFVWDQCSA-N
Boiling Point	731.3±60.0 °C
Melting Point	207-208 °C
Purity	98%+
Density	1.65±0.1 g/cm³
Solubility	Soluble in water
Complexity	379
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	324.10564683
Heavy Atom Count	22
Isomeric SMILES	C1[C@H]2C([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)O)O
Monoisotopic Mass	324.10564683
Physical State	White to yellow powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	166 Ų