Decyl 4-O-b-D-lactopyranosyl-b-D-lactopyranoside

Catalog	DGS1858224006
CAS	1858224-00-6
Synonyms	Lac b(1-4)Lac-b-C10
IUPAC Name	(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-decoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	806.84
Molecular Formula	C34H62O21
InChI	InChI=1S/C34H62O21/c1-2-3-4-5-6-7-8-9-10-48-31-25(45)21(41)28(16(12-36)50-31)54-33-27(47)23(43)30(18(14-38)52-33)55-34-26(46)22(42)29(17(13-37)51-34)53-32-24(44)20(40)19(39)15(11-35)49-32/h15-47H,2-14H2,1H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32+,33+,34+/m1/s1
InChI Key	OABQMJAOTJPXDB-XQKMEKMUSA-N
Purity	≥95%
Complexity	1080
Exact Mass	806.37835898
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	21
Hydrogen Bond Donor Count	13
Isomeric SMILES	CCCCCCCCCCO[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O
Monoisotopic Mass	806.37835898
Rotatable Bond Count	20
Topological Polar Surface Area	337 Ų
XLogP3-AA	-4