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[ CAS No. 56001-37-7 ] {[proInfo.proName]}

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Chemical Structure| 56001-37-7
Chemical Structure| 56001-37-7
Structure of 56001-37-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 56001-37-7 ]

CAS No. :56001-37-7 MDL No. :MFCD00083629
Formula : C10H14N5Na2O14P3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 567.14 Pubchem ID :-
Synonyms :
5'-GTP disodium salt;Guanosine 5′-triphosphate (sodium salt hydrate);GTP

Calculated chemistry of [ 56001-37-7 ]

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 8
Num. H-bond acceptors : 16.0
Num. H-bond donors : 6.0
Molar Refractivity : 95.17
TPSA : 334.19 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) : -13.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : -30.0
Log Po/w (XLOGP3) : -5.73
Log Po/w (WLOGP) : -1.78
Log Po/w (MLOGP) : -5.59
Log Po/w (SILICOS-IT) : -5.49
Consensus Log Po/w : -9.72

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : 0.59
Solubility : 2180.0 mg/ml ; 3.85 mol/l
Class : Highly soluble
Log S (Ali) : -0.62
Solubility : 135.0 mg/ml ; 0.238 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 3.16
Solubility : 816000.0 mg/ml ; 1440.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.13

Safety of [ 56001-37-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338-P302+P352-P321-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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