ChemFOnt: Showing chemical card for 5-phospho-alpha-D-ribose 1-diphosphate (CFc000283736)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 03:37:17 UTC

Chemfont ID

CFc000283736

Molecule Identification

Common Name

5-phospho-alpha-D-ribose 1-diphosphate

Definition

AC1nomyf is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. AC1nomyf is soluble (in water) and a moderately acidic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
({3,4-dihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl phosphonato}oxy)phosphonic acid	Generator
5-Phospho-α-D-ribose 1-diphosphoric acid	Generator

Chemical Formula

C₅H₈O₁₄P₃

Average Molecular Weight

385.029

Monoisotopic Molecular Weight

384.915433831

IUPAC Name

({3,4-dihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl phosphonato}oxy)phosphonate

Traditional Name

{3,4-dihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl phosphonato}oxyphosphonate

CAS Registry Number

Not Available

SMILES

OC1C(O)C(OP([O-])(=O)OP([O-])([O-])=O)OC1COP([O-])([O-])=O

InChI Identifier

InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5

InChI Key

PQGCEDQWHSBAJP-UHFFFAOYSA-I

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Monosaccharide phosphate
Organic pyrophosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Tetrahydrofuran
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Oxacycle
Alcohol
Hydrocarbon derivative
Organic oxide
Organic anion
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

a sugar phosphate (PRPP )

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	58.2 g/L	ALOGPS
logP	-0.78	ALOGPS
logP	-3	ChemAxon
logS	-0.91	ALOGPS
pKa (Strongest Acidic)	1.09	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	243.89 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	56.97 m³·mol⁻¹	ChemAxon
Polarizability	25.71 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0304220

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030583

KNApSAcK ID

Not Available

Chemspider ID

4314659

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5140916

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 5-phospho-alpha-D-ribose 1-diphosphate (CFc000283736)

MOL for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

3D MOL for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

3D SDF for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

3D-SDF for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

PDB for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

3D PDB for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

SMILES for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

INCHI for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

Structure for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)

3D Structure for CFc000283736 (5-phospho-alpha-D-ribose 1-diphosphate)