1,1,1,1-Kestohexose

CAS	62512-19-0
Synonyms	Kestohexaose
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	990.86
Molecular Formula	C36H62O31
Canonical SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O
InChI	InChI=1S/C36H62O31/c37-1-12-18(44)24(50)25(51)31(61-12)67-36(30(56)23(49)17(6-42)66-36)11-60-35(29(55)22(48)16(5-41)65-35)10-59-34(28(54)21(47)15(4-40)64-34)9-58-33(27(53)20(46)14(3-39)63-33)8-57-32(7-43)26(52)19(45)13(2-38)62-32/h12-31,37-56H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+/m1/s1
InChI Key	BWRYDXSZCCQXIF-TWMOFSFSSA-N
Purity	98%
Density	1.88±0.1 g/ml
pKa	12.76±0.7