Dodecyl b-D-cellobioside

Catalog	DGS74513192
CAS	74513-19-2
Synonyms	β-D-Glucopyranoside, dodecyl 4-O-β-D-glucopyranosyl-; Dodecyl β-D-cellobiopyranoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	510.62
Molecular Formula	C24H46O11
InChI	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChI Key	NLEBIOOXCVAHBD-ALYNCGSASA-N
Boiling Point	703.5±60.0 °C (Predicted)
Purity	≥98%
Density	1.28±0.1 g/cm³ (Predicted)
Appearance	White to off-white powder to crystalline powder
Complexity	554
Exact Mass	510.30401228
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
MDL Number	MFCD22124157
Monoisotopic Mass	510.30401228
pKa	12.82±0.70 (Predicted)
Rotatable Bond Count	16
Topological Polar Surface Area	179 Ų
XLogP3-AA	1.4