Tridecyl beta-D-maltopyranoside

Catalog	DGS93911127
CAS	93911-12-7
Structure
Synonyms	Tridecyl β-D-maltoside; Tridecyl4-O-hexopyranosylhexopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-tridecoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	524.64
Molecular Formula	C25H48O11
Canonical SMILES	CCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI	InChI=1S/C25H48O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-33-24-22(32)20(30)23(17(15-27)35-24)36-25-21(31)19(29)18(28)16(14-26)34-25/h16-32H,2-15H2,1H3/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1
InChI Key	JZPRPDMVGIRGBV-IYBATYGCSA-N
Purity	≥98%
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white crystalline powder
Aggregation Number	(100 mM NaCl, 20 mM HEPES pH 7.5) ~ 186
Complexity	568
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H₂O) ~ 0.033 mM (0.0017%)
Exact Mass	524.31966234
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCCO[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	MFCD08062386
Monoisotopic Mass	524.31966234
pH	5-8 (1% solution in water)
Rotatable Bond Count	17
Storage Conditions	Room temperature
Topological Polar Surface Area	179 Ų
XLogP3-AA	1.9