ChemFOnt: Showing chemical card for D-Tartaric acid (CFc000011102)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:58:45 UTC

Chemfont ID

CFc000011102

Molecule Identification

Common Name

D-Tartaric acid

Definition

466

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(-)-(S,S)-Tartaric acid	ChEBI
(-)-D-Tartaric acid	ChEBI
(-)-Tartaric acid	ChEBI
(-)-Weinsaeure	ChEBI
(2S,3S)-(-)-Tartaric acid	ChEBI
(2S,3S)-Tartaric acid	ChEBI
(S,S)-(-)-Tartaric acid	ChEBI
(S,S)-Tartaric acid	ChEBI
D(-)-TARTARIC ACID	ChEBI
D-(-)-Tartaric acid	ChEBI
D-Threaric acid	ChEBI
Linksweinsaeure	ChEBI
(S,S)-Tartrate	Kegg
D-Tartrate	Kegg
(-)-(S,S)-Tartarate	Generator
(-)-D-Tartarate	Generator
(-)-Tartarate	Generator
(2S,3S)-(-)-Tartarate	Generator
(2S,3S)-Tartarate	Generator
(S,S)-(-)-Tartarate	Generator
(S,S)-Tartarate	Generator
D(-)-TARTARate	Generator
D-(-)-Tartarate	Generator
D-Threarate	Generator
(S,S)-Tartric acid	Generator
D-Tartric acid	Generator
D-Tartarate	Generator
(2S,3S)-2,3-Dihydroxybutanedioic acid	HMDB
Tartrate	HMDB
Calcium tartrate	MeSH
Tartaric acid, ((r,r)-(+-))-isomer	MeSH
(R,r)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt	MeSH
Aluminum tartrate	MeSH
Sodium ammonium tartrate	MeSH
Tartaric acid, (R-(r,r))-isomer	MeSH
Tartaric acid, (S-(r,r))-isomer	MeSH
Ammonium tartrate	MeSH
Calcium tartrate tetrahydrate	MeSH
Potassium tartrate	MeSH
Seignette salt	MeSH
Sodium potassium tartrate	MeSH
Stannous tartrate	MeSH
Tartaric acid	MeSH
Tartaric acid, (r,s)-isomer	MeSH
Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r,r)-(+-)-isomer	MeSH
Tartaric acid, calcium salt, (R-r,r)-isomer	MeSH
MN(III) tartrate	MeSH
Sodium tartrate	MeSH
Tartaric acid, monoammonium salt, (R-(r,r))-isomer	MeSH

Chemical Formula

C₄H₆O₆

Average Molecular Weight

150.0868

Monoisotopic Molecular Weight

150.016437924

IUPAC Name

(2S,3S)-2,3-dihydroxybutanedioic acid

Traditional Name

D-tartaric acid

CAS Registry Number

147-71-7

SMILES

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

InChI Identifier

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1

InChI Key

FEWJPZIEWOKRBE-LWMBPPNESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Beta-hydroxy acid
Short-chain hydroxy acid
Sugar acid
Monosaccharide
Hydroxy acid
Dicarboxylic acid or derivatives
Alpha-hydroxy acid
Fatty acid
Secondary alcohol
1,2-diol
Carboxylic acid
Carboxylic acid derivative
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tartaric acid (CHEBI:15672 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029878)
Cytoplasm (HMDB: HMDB0029878)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029878)

Source

Exogenous

Exogenous (HMDB: HMDB0029878)

Food

Food (HMDB: HMDB0029878)

Fruit

Tropical fruit

Loquat (FooDB: FOOD00076)

Endogenous

Endogenous (HMDB: HMDB0029878)

Plant

Plant (HMDB: HMDB0029878)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	161 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-1.8	ChemAxon
logS	0.03	ALOGPS
pKa (Strongest Acidic)	2.72	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	115.06 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	26.21 m³·mol⁻¹	ChemAxon
Polarizability	11.61 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