Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 50730-26-2
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
>95% |
2
In Stock
|
Hong Kong |
Inquiry |
50730-26-2 / [(2R,3R,4R,5R)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
Standard CAS: 50730-26-2
Multi CAS: No
Basic Information
CAS
50730-26-2
Multi CAS
No
Molecular Formula
C13H18O9
Molecular Weight
318.280000
Exact Mass
318.095082
InChI
InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13+/m1/s1
InChIKey
IHNHAHWGVLXCCI-LPWJVIDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
68.17
TPSA
114.43
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.25
XLogP3
0.7
Consensus LogP
0.05
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5