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Glucose 1,6-bisphosphate

Glucose 1,6-bisphosphate structure

CAS No:
10139-18-1
Formula:
C6H14O12P2
Chemical Name:
Glucose 1,6-bisphosphate
Synonyms:
α-D-Glucopyranose,1,6-bis(dihydrogen phosphate);Glucopyranose,1,6-bis(dihydrogen phosphate),α-D-;Glucose 1,6-diphosphate;D-Glucose 1,6-diphosphate;Glucose 1,6-bisphosphate;α-Glucose 1,6-diphosphate;α-D-Glucose 1,6-bisphosphate;α-D-Glucose 1,6-diphosphate;α-D-Glucose 1,6-bis(dihydrogen phosphate);28472-37-9;29315-85-3;28983-35-9
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates.

Solid

Alpha-D-glucose 1,6-bisphosphate is a D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates. It has a role as a human metabolite and an Escherichia coli metabolite. It derives from an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1,6-bisphosphate(4-).

Glucose 1,6-bisphosphate Basic Attributes

Molecular Weight：

340.115682

Exact Mass：

340.12

EC Number：

233-395-5

UNII：

DRX17R6AM2

Characteristics

PSA：

203

XLogP3：

-4.374

Appearance：

Solid

Density：

2.05±0.1 g/cm3(Predicted)

Boiling Point：

733.2±70.0 °C(Predicted)

Collision Cross Section：

159.11 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Drug Information

MeSH Entry Terms：

beta-D-glucose 1,6-(bis)phosphate

Glucose 1,6-bisphosphate Use and Manufacturing

Manufacturing Info：

.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate): ACTIVE

Computed Properties

Molecular Weight:340.12
XLogP3:-5.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:339.99604987
Monoisotopic Mass:339.99604987
Topological Polar Surface Area:203
Heavy Atom Count:20
Complexity:414
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes