ChemFOnt: Showing chemical card for Glycoprotein-phospho-D-mannose (CFc000042885)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:38 UTC

Chemfont ID

CFc000042885

Molecule Identification

Common Name

Glycoprotein-phospho-D-mannose

Definition

Glycoprotein-phospho-D-mannose, also known as (2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal or Mannose homopolymer, is classified as a member of the Hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Glycoprotein-phospho-D-mannose is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal	ChEBI
Mannose homopolymer	HMDB
Polymannose	HMDB
Poly(mannose)	HMDB

Chemical Formula

C₆H₁₂O₆

Average Molecular Weight

180.1559

Monoisotopic Molecular Weight

180.063388116

IUPAC Name

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Traditional Name

(+-)-mannose

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O

InChI Identifier

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1

InChI Key

GZCGUPFRVQAUEE-KVTDHHQDSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose 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

D-mannose (CHEBI:37675 )
aldehydo-mannose (CHEBI:37675 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062473)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	261 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-3.6	ChemAxon
logS	0.16	ALOGPS
pKa (Strongest Acidic)	11.8	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.35 m³·mol⁻¹	ChemAxon
Polarizability	16.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062473

DrugBank ID

DB12907

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

161658

PDB ID

Not Available

ChEBI ID

37675

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glycoprotein-phospho-D-mannose (CFc000042885)

MOL for CFc000042885 (Glycoprotein-phospho-D-mannose)

3D MOL for CFc000042885 (Glycoprotein-phospho-D-mannose)

3D SDF for CFc000042885 (Glycoprotein-phospho-D-mannose)

3D-SDF for CFc000042885 (Glycoprotein-phospho-D-mannose)

PDB for CFc000042885 (Glycoprotein-phospho-D-mannose)

3D PDB for CFc000042885 (Glycoprotein-phospho-D-mannose)

SMILES for CFc000042885 (Glycoprotein-phospho-D-mannose)

INCHI for CFc000042885 (Glycoprotein-phospho-D-mannose)

Structure for CFc000042885 (Glycoprotein-phospho-D-mannose)

3D Structure for CFc000042885 (Glycoprotein-phospho-D-mannose)