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L-Rhamnose

Odors

No information available

Receptor Interaction

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

General Information

Common Name: L-Rhamnose
IUPAC Name: (3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
Molecular Formula: C6H12O5
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O
Inchi: 1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
Inchi Key: SHZGCJCMOBCMKK-JFNONXLTSA-N
Cas No: 73-34-7

Functional Group

Drug Likeness

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

Cross References

PubChem: 25310
Zinc: ZINC1532676
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 164.16
Mass (g/mol) 164.068
Molar Refractivity 34.57
Net Charge
HBD 4
HBA 5
Rt Bonds 0
Rings 1
TPSA 90.15
Hetero Atoms 5
Heavy Atoms 11
Aromatic Heavy Atoms 0
Melting Point (°C) 122
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 1.00
LogP -2.194
iLOGP 1.14
XLOGP3 -2.09
WLOGP -2.19
MLOGP -1.94
ESOL Log S 0.46
ESOL Solubility (mg/ml) 472
ESOL Solubility (mol/l) 2.88
ESOL Class: esol_class Highly soluble
Ali Log S 0.72
Ali Solubility (mg/ml) 870
Ali Solubility (mol/l) 5.3
Ali Class Highly soluble
Silicos-IT LogSw 2.06
Silicos-IT Solubility (mg/ml) 19100
Silicos-IT Solubility (mol/l) 116
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -8.79
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.914
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.244
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
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