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[ CAS No. 14215-68-0 ] {[proInfo.proName]}

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Chemical Structure| 14215-68-0
Chemical Structure| 14215-68-0
Structure of 14215-68-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14215-68-0 ]

CAS No. :14215-68-0 MDL No. :MFCD00065372
Formula : C8H15NO6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 221.21 Pubchem ID :-
Synonyms :
Chemical Name :N-((2S,3R,4R,5R,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide

Calculated chemistry of [ 14215-68-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 47.19
TPSA : 119.25 ?2

Pharmacokinetics

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) : -8.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.64
Log Po/w (XLOGP3) : -1.16
Log Po/w (WLOGP) : -3.08
Log Po/w (MLOGP) : -2.61
Log Po/w (SILICOS-IT) : -2.27
Consensus Log Po/w : -1.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.28
Solubility : 115.0 mg/ml ; 0.522 mol/l
Class : Very soluble
Log S (Ali) : -0.85
Solubility : 31.1 mg/ml ; 0.141 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.64
Solubility : 9720.0 mg/ml ; 44.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.79

Safety of [ 14215-68-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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