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[ CAS No. 28053-08-9 ] {[proInfo.proName]}

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Chemical Structure| 28053-08-9
Chemical Structure| 28053-08-9
Structure of 28053-08-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 28053-08-9 ]

CAS No. :28053-08-9 MDL No. :MFCD00077895
Formula : C15H22N2Na2O17P2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 610.27 Pubchem ID :-
Synonyms :
UDP-D-Glucose disodium salt;UDPG;UYD77NZ2JQ;Uridine 5'-diphosphoglucose disodium;Disodium UDP-glucose;28053-08-9;Uridine(5')disodiodiphospho(1)-alpha-D-glucose;UDP-α-D-Glucose sodium salt;UDP-Glc;Uridine 5'-diphosphoglucose disodium salt
Chemical Name :((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl ((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)diphosphate sodium

Calculated chemistry of [ 28053-08-9 ]

Physicochemical Properties

Num. heavy atoms : 38
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.73
Num. rotatable bonds : 9
Num. H-bond acceptors : 17.0
Num. H-bond donors : 7.0
Molar Refractivity : 105.41
TPSA : 322.27 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) : -14.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : -25.45
Log Po/w (XLOGP3) : -6.32
Log Po/w (WLOGP) : -4.24
Log Po/w (MLOGP) : -5.69
Log Po/w (SILICOS-IT) : -5.81
Consensus Log Po/w : -9.5

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.84
Solubility : 4170.0 mg/ml ; 6.84 mol/l
Class : Highly soluble
Log S (Ali) : 0.24
Solubility : 1060.0 mg/ml ; 1.74 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 4.25
Solubility : 10700000.0 mg/ml ; 17600.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.95

Safety of [ 28053-08-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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Reason: Free-salt