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Tartaric acid

Odors

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

Odor Profile

Strength: none

General Information

Common Name: Tartaric acid
IUPAC Name: 2,3-dihydroxybutanedioic acid
Molecular Formula: C4H6O6
SMILES: C(C(C(=O)O)O)(C(=O)O)O
Inchi: 1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
Inchi Key: FEWJPZIEWOKRBE-UHFFFAOYSA-N
Cas No: 133-37-9

Functional Group

Acid
Alcohols

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 875
Zinc: ZINC895296
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 150.09
Mass (g/mol) 150.016
Molar Refractivity 27.21
Net Charge -2
HBD 4
HBA 6
Rt Bonds 3
Rings
TPSA 115.06
Hetero Atoms 6
Heavy Atoms 10
Aromatic Heavy Atoms 0
Melting Point (°C) 206.00 to 210.00
Boiling Point (°C@760.00mm Hg) 399.00 to 400.00
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP -2.123
iLOGP -0.83
XLOGP3 -1.88
WLOGP -2.12
MLOGP -2.18
ESOL Log S 0.61
ESOL Solubility (mg/ml) 614
ESOL Solubility (mol/l) 4.09
ESOL Class: esol_class Highly soluble
Ali Log S -0.02
Ali Solubility (mg/ml) 144
Ali Solubility (mol/l) 0.96
Ali Class Very soluble
Silicos-IT LogSw 2.44
Silicos-IT Solubility (mg/ml) 41700
Silicos-IT Solubility (mol/l) 278
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.55
Bioavailability Score 0.56
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.643
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.463
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0