![CAS 60077-47-6 5-Ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-3-methoxy-1H,3H-pyrano[3,4-c]pyran-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60077-47-6.gif)
CAS RN: 60077-47-6
5-Ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-3-methoxy-1H,3H-pyrano[3,4-c]pyran-1-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251129 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS60077-47-6
- Purity/Analytical Methods: >99.0%
60077-47-6 / 5-ethenyl-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Basic Information
CAS
60077-47-6
Multi CAS
Yes
Molecular Formula
C17H24O10
Molecular Weight
388.400000
Exact Mass
388.136947
InChI
InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3
InChIKey
RAYZRCGMIDUTKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
86.49
TPSA
144.14
LogP / Solubility
WLOGP
-1.62
MLOGP
-1.4
XLogP3
-0.9
Consensus LogP
-1.31
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-6.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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