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Polydextrose

Odors

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Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Polydextrose
IUPAC Name: (2S,3R,4S,5S,6R)-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Molecular Formula: C12H22O11
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O
Inchi: 1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12?/m1/s1
Inchi Key: DLRVVLDZNNYCBX-KNHCDGMMSA-N
Cas No: 68424-04-4

Functional Group

Drug Likeness

Name Value
Lipinski Violations 2
Ghose Violations 1
Veber Violations 1
Egan Violations 1
Muegge Violations 4

Cross References

PubChem: 71306906
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 342.30
Mass (g/mol) 42.116
Molar Refractivity 68.12
Net Charge
HBD 8
HBA 11
Rt Bonds 4
Rings
TPSA 189.53
Hetero Atoms
Heavy Atoms 23
Aromatic Heavy Atoms 0
Melting Point (°C) 110.00 to 130.00
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 1.00
LogP
iLOGP 0.24
XLOGP3 -5.33
WLOGP -5.40
MLOGP -4.37
ESOL Log S 1.66
ESOL Solubility (mg/ml) 15600
ESOL Solubility (mol/l) 45.7
ESOL Class: esol_class Highly soluble
Ali Log S 2.00
Ali Solubility (mg/ml) 34200
Ali Solubility (mol/l) 99.9
Ali Class Highly soluble
Silicos-IT LogSw 4.25
Silicos-IT Solubility (mg/ml) 6100000
Silicos-IT Solubility (mol/l) 17800
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -12.17
Bioavailability Score 0.17
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.556
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.959
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 1
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 1
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0