6-O-Α-D-Glucopyranosyl-Α-D-Fructofuranose

CAS: 58166-27-1 | C12H22O11

Loading 3D structure...

CAS Registry Number: 58166-27-1

Molecular Formula: C12H22O11

Molecular Mass: 342.30 g/mol

6-O-Α-D-Glucopyranosyl-Α-D-Fructofuranose

α-D-Fructofuranose, 6-O-α-D-glucopyranosyl-

6-O-α-D-Glucopyranosyl-α-D-fructofuranose

α-Palatinose

α-Isomaltulose

OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	342.30 g/mol	CAS Common Chemistry
	342.297 g/mol	RDKit
	342.11621152399994 g/mol	RDKit
Canonical SMILES	OCC1OC(OCC2OC(O)(CO)C(O)C2O)C(O)C(O)C1O	CAS Common Chemistry
InChI	InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1	CAS Common Chemistry
InChI Key	InChIKey=PVXPPJIGRGXGCY-DJHAAKORSA-N	CAS Common Chemistry
Name	6-O-α-D-Glucopyranosyl-α-D-fructofuranose	CAS Common Chemistry
Heavy Atom Count	23	RDKit
Hydrogen Bond Acceptors	11	RDKit
Hydrogen Bond Donors	8	RDKit
Rotatable Bonds	5	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	189.52999999999997 Å²	RDKit
LogP	-5.395599999999993	RDKit
Molar Refractivity	68.64140000000003	RDKit