Free release
admin

product 

HOME product Text
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol

CAS No. :369-07-3MDL No. :MFCD00063255Formula :C12H15NO8Boiling Point :-Linear Structure Formula :-InChI Key :KUWPCJHYPS

Sales：Service@apichina.com
CAS No. :369-07-3 Brand :Qitai
Formula :C12H15NO8 M.W :301.25

Introduction

CAS No. :369-07-3 MDL No. :MFCD00063255
Formula : C12H15NO8 Boiling Point : -
Linear Structure Formula :- InChI Key :KUWPCJHYPSUOFW-YBXAARCKSA-N
M.W : 301.25 Pubchem ID :96647
Synonyms :
ONPG;ortho-Nitrophenyl β-D-galactopyranoside;NSC 83631;ortho-Nitrophenyl β-D-Galactoside;o-Nitrophenyl β-D-Galactoside;o-Nitrophenyl β-D-Galactopyranoside
Chemical Name :(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 4
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 69.41
TPSA : 145.2 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.26
Log Po/w (XLOGP3) : -0.78
Log Po/w (WLOGP) : -1.23
Log Po/w (MLOGP) : -1.86
Log Po/w (SILICOS-IT) : -2.88
Consensus Log Po/w : -1.1

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.16
Solubility : 20.7 mg/ml ; 0.0686 mol/l
Class : Very soluble
Log S (Ali) : -1.79
Solubility : 4.87 mg/ml ; 0.0162 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.41
Solubility : 778.0 mg/ml ; 2.58 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.36
Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Related View all