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CAS No. : | 82494-09-5 | MDL No. : | MFCD00061624 |
Formula : | C22H42O11 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WOQQAWHSKSSAGF-WXFJLFHKSA-N |
M.W : | 482.56 | Pubchem ID : | 5288728 |
Synonyms : |
n-Decyl-β-D-maltoside;Decyl β-D-maltopyranoside;Decylmaltoside;Decyl-β-maltoside;Decyl-β-maltopyranoside;n-Decyl-β-D-maltopyranoside
|
Chemical Name : | Decyl 4-O-a-D-glucopyranosyl-b-D-glucopyranoside |
Num. heavy atoms : | 33 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 14 |
Num. H-bond acceptors : | 11.0 |
Num. H-bond donors : | 7.0 |
Molar Refractivity : | 116.11 |
TPSA : | 178.53 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -8.96 cm/s |
Log Po/w (iLOGP) : | 3.82 |
Log Po/w (XLOGP3) : | 0.4 |
Log Po/w (WLOGP) : | -1.23 |
Log Po/w (MLOGP) : | -1.94 |
Log Po/w (SILICOS-IT) : | -0.32 |
Consensus Log Po/w : | 0.15 |
Lipinski : | 2.0 |
Ghose : | None |
Veber : | 2.0 |
Egan : | 1.0 |
Muegge : | 3.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -2.16 |
Solubility : | 3.34 mg/ml ; 0.00692 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.72 |
Solubility : | 0.0929 mg/ml ; 0.000193 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | 0.03 |
Solubility : | 517.0 mg/ml ; 1.07 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 6.57 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |