D-Glucose, 6-(Dihydrogen Phosphate), Potassium Salt (1:2)

CAS: 5996-17-8 | C6H13K2O9P

Loading 3D structure...

CAS Registry Number: 5996-17-8

Molecular Formula: C6H13K2O9P

Molecular Mass: 338.33 g/mol

D-Glucose, 6-(Dihydrogen Phosphate), Potassium Salt (1:2)

D-Glucose, 6-(dihydrogen phosphate), potassium salt (1:2)

D-Glucose, 6-(dihydrogen phosphate), dipotassium salt

Dipotassium glucose-6-phosphate

Dipotassium D-glucose-6-phosphate

O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[K].[K]

InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/t3-,4+,5+,6+;;/m0../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	338.33 g/mol	CAS Common Chemistry
	338.33099999999996 g/mol	RDKit
	337.95713198600004 g/mol	RDKit
Canonical SMILES	[K].O=CC(O)C(O)C(O)C(O)COP(=O)(O)O	CAS Common Chemistry
InChI	InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/t3-,4+,5+,6+;;/m0../s1	CAS Common Chemistry
InChI Key	InChIKey=LJSYGYHQPZYSEZ-FAOVPRGRSA-N	CAS Common Chemistry
Name	D-Glucose, 6-(dihydrogen phosphate), potassium salt (1:2)	CAS Common Chemistry
Heavy Atom Count	18	RDKit
Hydrogen Bond Acceptors	7	RDKit
Hydrogen Bond Donors	6	RDKit
Rotatable Bonds	7	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	164.75 Å²	RDKit
LogP	-4.0234000000000005	RDKit
Molar Refractivity	59.59530000000003	RDKit