Trehalose

Catalog	DGS99207
CAS	99-20-7
Structure
Synonyms	D-Trehaloseanhydrous
IUPAC Name	(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Molecular Weight	342.3
Molecular Formula	C12H22O11
Canonical SMILES	C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
InChI	InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChI Key	HDTRYLNUVZCQOY-LIZSDCNHSA-N
Boiling Point	397.76 °C
Melting Point	203 °C
Flash Point	362.3 °C
Purity	98%
Density	1.5800 g/cm³
Solubility	Soluble in water
Appearance	White to off-white powder
Storage	Inert atmosphere, room temperature
Complexity	348
EC Number	202-739-6
Exact Mass	342.11621151
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	8
Isomeric SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Monoisotopic Mass	342.11621151
pKa	12.53±0.70(Predicted)
Rotatable Bond Count	4
Shipping	Ambient temperature
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	190 Ų
XLogP3-AA	-4.2