ChemFOnt: Showing chemical card for L-Ascorbic acid 2-phosphate (CFc000233400)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:03:24 UTC

Chemfont ID

CFc000233400

Molecule Identification

Common Name

L-Ascorbic acid 2-phosphate

Definition

{[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonic acid belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Based on a literature review very few articles have been published on {[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
{[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonate	Generator
Vitamin C phosphoric acid	Generator
Asc2p CPD	MeSH
Ascorbic acid 2-phosphate	MeSH
Magnesium ascorbate-2-phosphate	MeSH
Sodium ascorbyl phosphate	MeSH
Asc-2-O-phosphate	MeSH
Magnesium ascorbyl phosphate	MeSH
Magnesium-L-ascorbyl-2-phosphate	MeSH
L-Ascorbic acid, 2-(dihydrogen phosphate)	MeSH
L-Ascorbic acid 2-phosphate	MeSH
Ascorbyl-2-phosphate	MeSH
2-Phosphoascorbate	MeSH
AA-2P CPD	MeSH
L-Ascorbic acid 2-phosphate magnesium	MeSH
Ascorbate-2-phosphate	MeSH
Ascorbyl-2-monophosphate	MeSH
2-Phospho-L-ascorbate	Generator

Chemical Formula

C₆H₉O₉P

Average Molecular Weight

256.103

Monoisotopic Molecular Weight

255.998418868

IUPAC Name

{[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonic acid

Traditional Name

[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-5H-furan-3-yl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OCC(O)C1OC(=O)C(OP(O)(O)=O)=C1O

InChI Identifier

InChI=1S/C6H9O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H2,11,12,13)

InChI Key

MIJPAVRNWPDMOR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

2-furanone
Organic phosphoric acid derivative
Phosphoric acid ester
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
1,2-diol
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Primary alcohol
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	15.8 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.6	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	0.81	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	153.75 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	47.9 m³·mol⁻¹	ChemAxon
Polarizability	19.41 Å³	ChemAxon
Number of Rings	1	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

HMDB0253874

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10732452

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54702575

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-Ascorbic acid 2-phosphate (CFc000233400)

MOL for CFc000233400 (L-Ascorbic acid 2-phosphate)

3D MOL for CFc000233400 (L-Ascorbic acid 2-phosphate)

3D SDF for CFc000233400 (L-Ascorbic acid 2-phosphate)

3D-SDF for CFc000233400 (L-Ascorbic acid 2-phosphate)

PDB for CFc000233400 (L-Ascorbic acid 2-phosphate)

3D PDB for CFc000233400 (L-Ascorbic acid 2-phosphate)

SMILES for CFc000233400 (L-Ascorbic acid 2-phosphate)

INCHI for CFc000233400 (L-Ascorbic acid 2-phosphate)

Structure for CFc000233400 (L-Ascorbic acid 2-phosphate)

3D Structure for CFc000233400 (L-Ascorbic acid 2-phosphate)