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[ CAS No. 148296-47-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 148296-47-3
Chemical Structure| 148296-47-3
Structure of 148296-47-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 148296-47-3 ]

CAS No. :148296-47-3 MDL No. :MFCD00799980
Formula : C16H23N5Na2O15P2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 633.31 Pubchem ID :-
Synonyms :
GDP-L-fucose disodium salt

Calculated chemistry of [ 148296-47-3 ]

Physicochemical Properties

Num. heavy atoms : 40
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.69
Num. rotatable bonds : 8
Num. H-bond acceptors : 17.0
Num. H-bond donors : 7.0
Molar Refractivity : 115.48
TPSA : 336.77 Ų

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) : -14.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : -18.89
Log Po/w (XLOGP3) : -6.57
Log Po/w (WLOGP) : -3.04
Log Po/w (MLOGP) : -5.83
Log Po/w (SILICOS-IT) : -6.12
Consensus Log Po/w : -8.09

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 5.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : 0.73
Solubility : 3430.0 mg/ml ; 5.42 mol/l
Class : Highly soluble
Log S (Ali) : 0.19
Solubility : 991.0 mg/ml ; 1.56 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 3.47
Solubility : 1870000.0 mg/ml ; 2950.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.04

Safety of [ 148296-47-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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