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[ CAS No. 3387-36-8 ] {[proInfo.proName]}

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Chemical Structure| 3387-36-8
Chemical Structure| 3387-36-8
Structure of 3387-36-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 3387-36-8 ]

CAS No. :3387-36-8 MDL No. :MFCD00006525
Formula : C9H11N2Na2O9P Boiling Point : -
Linear Structure Formula :- InChI Key :KURVIXMFFSNONZ-WFIJOQBCSA-L
M.W : 368.15 Pubchem ID :169020
Synonyms :
Disodium uridine-5'-monophosphate
Chemical Name :Disodium uridine-5-monophosphate

Calculated chemistry of [ 3387-36-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.56
Num. rotatable bonds : 4
Num. H-bond acceptors : 9.0
Num. H-bond donors : 3.0
Molar Refractivity : 62.11
TPSA : 186.78 ?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) : -11.12 cm/s

Lipophilicity

Log Po/w (iLOGP) : -31.07
Log Po/w (XLOGP3) : -3.63
Log Po/w (WLOGP) : -2.18
Log Po/w (MLOGP) : -3.01
Log Po/w (SILICOS-IT) : -2.52
Consensus Log Po/w : -8.48

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.24
Solubility : 633.0 mg/ml ; 1.72 mol/l
Class : Highly soluble
Log S (Ali) : 0.29
Solubility : 723.0 mg/ml ; 1.96 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.59
Solubility : 14300.0 mg/ml ; 38.9 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.28

Safety of [ 3387-36-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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