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Inosine 5'-monophosphate disodium salt xhydrate

Inosine 5'-monophosphate disodium salt xhydrate

CAS No. :352195-40-5MDL No. :MFCD00150372Formula :C10H13N4Na2O9PBoiling Point :-Linear Structure Formula :-InChI Key :KQ

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CAS No. :352195-40-5 Brand :Qitai
Formula :C10H13N4Na2O9P M.W :410.18

Introduction

CAS No. :352195-40-5 MDL No. :MFCD00150372
Formula : C10H13N4Na2O9P Boiling Point : -
Linear Structure Formula :- InChI Key :KQCIGEIXDXQSGM-MSQVLRTGSA-L
M.W : 410.18 Pubchem ID :135565601
Synonyms :
5'-IMP (disodium)(hydrate)(1:2:X);IMP (disodium)(hydrate)(1:2:X);Inosine 5'-monophosphate disodium salt hydrate;Disodium 5'-inosinate monohydrate;Inosine 5'-dihydrogen phosphate (disodium)(hydrate)(1:2:X)
Chemical Name :Inosine 5'-monophosphate disodium salt xhydrate

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 4
Num. H-bond acceptors : 12.0
Num. H-bond donors : 4.0
Molar Refractivity : 71.19
TPSA : 204.98 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) : -11.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : -33.49
Log Po/w (XLOGP3) : -3.67
Log Po/w (WLOGP) : -1.25
Log Po/w (MLOGP) : -4.22
Log Po/w (SILICOS-IT) : -3.29
Consensus Log Po/w : -9.18

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.06
Solubility : 355.0 mg/ml ; 0.865 mol/l
Class : Very soluble
Log S (Ali) : -0.05
Solubility : 368.0 mg/ml ; 0.897 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.48
Solubility : 12400.0 mg/ml ; 30.3 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.39
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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