ChemFOnt: Showing chemical card for D-Glycero-D-galactoheptose (CFc000334311)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:15:18 UTC

Chemfont ID

CFc000334311

Molecule Identification

Common Name

D-Glycero-D-galactoheptose

Definition

D-glycero-d-galactoheptose is a member of the class of compounds known as heptoses. Heptoses are monosaccharides in which the sugar unit is a seven-carbon containing moeity. D-glycero-d-galactoheptose is soluble (in water) and a very weakly acidic compound (based on its pKa). D-glycero-d-galactoheptose can be found in avocado, which makes D-glycero-d-galactoheptose a potential biomarker for the consumption of this food product.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Glycero-galacto-heptose, (D-glycero-L-galacto)-isomer	MeSH
Glycero-galacto-heptose	MeSH

Chemical Formula

C₇H₁₄O₇

Average Molecular Weight

210.1819

Monoisotopic Molecular Weight

210.073952802

IUPAC Name

2,3,4,5,6,7-hexahydroxyheptanal

Traditional Name

D-glycero-D-gulo-heptose

CAS Registry Number

617-45-8

SMILES

OCC(O)C(O)C(O)C(O)C(O)C=O

InChI Identifier

InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2

InChI Key

YPZMPEPLWKRVLD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Heptoses

Alternative Parents

Substituents

Heptose monosaccharide
Medium-chain aldehyde
Beta-hydroxy aldehyde
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Aldehyde
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (FooDB: )

Food

Vegetable

Fruit vegetable

Avocado (FooDB: FOOD00130)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	203 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-4.2	ChemAxon
logS	-0.01	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	138.45 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	43.31 m³·mol⁻¹	ChemAxon
Polarizability	19.09 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0258389

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB006447

KNApSAcK ID

C00053127

Chemspider ID

190430

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

219662

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for D-Glycero-D-galactoheptose (CFc000334311)

MOL for CFc000334311 (D-Glycero-D-galactoheptose)

3D MOL for CFc000334311 (D-Glycero-D-galactoheptose)

3D SDF for CFc000334311 (D-Glycero-D-galactoheptose)

3D-SDF for CFc000334311 (D-Glycero-D-galactoheptose)

PDB for CFc000334311 (D-Glycero-D-galactoheptose)

3D PDB for CFc000334311 (D-Glycero-D-galactoheptose)

SMILES for CFc000334311 (D-Glycero-D-galactoheptose)

INCHI for CFc000334311 (D-Glycero-D-galactoheptose)

Structure for CFc000334311 (D-Glycero-D-galactoheptose)

3D Structure for CFc000334311 (D-Glycero-D-galactoheptose)