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CAS No. : | 1772-03-8 | MDL No. : | MFCD00135830 |
Formula : | C6H14ClNO5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 215.63 | Pubchem ID : | - |
Synonyms : |
D-Galactosamine (hydrochloride);D-Galactosamine hydrochloride;D-(+)-Galactosamine
|
Chemical Name : | (2R,3R,4R,5R)-2-Amino-3,4,5,6-tetrahydroxyhexanal hydrochloride |
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.83 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 5.0 |
Molar Refractivity : | 45.48 |
TPSA : | 124.01 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -9.67 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | -2.89 |
Log Po/w (WLOGP) : | -2.61 |
Log Po/w (MLOGP) : | -2.56 |
Log Po/w (SILICOS-IT) : | -1.84 |
Consensus Log Po/w : | -1.98 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 0.97 |
Solubility : | 2030.0 mg/ml ; 9.41 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.84 |
Solubility : | 1500.0 mg/ml ; 6.97 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 2.23 |
Solubility : | 36800.0 mg/ml ; 171.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.13 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
A1267802[ 478518-54-6 ]
D-Galactosamine-1-13C Hydrochloride
Reason: Stable Isotope
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