CAS RN: 109194-60-7
1-O-(4-Hydroxy-3-methoxyphenyl)-β-D-glucopyranose
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250427 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS109194-60-7
- Purity/Analytical Methods: >99.0%
109194-60-7 / (2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Tachioside | (2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | RefChem:187109
Basic Information
CAS
109194-60-7
Multi CAS
Yes
Molecular Formula
C13H18O8
Molecular Weight
302.280000
Exact Mass
302.100168
SMILES
COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey
KWVHACHAQJFTLZ-UJPOAAIJSA-N
Synonyms
Tachioside
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
RefChem:187109
1-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
5
Molar refractivity
69.05
TPSA
128.84
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.24
XLogP3
-0.9
Consensus LogP
-1.19
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble
ADME
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)
-5.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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