CAS RN: 168105-32-6
2-C-(2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl) ethyne
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-073305
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
168105-32-6 / [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-ethynyloxan-2-yl]methyl acetate
Basic Information
CAS
168105-32-6
Multi CAS
No
Molecular Formula
C16H20O9
Molecular Weight
356.320000
Exact Mass
356.110732
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C#C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H20O9/c1-6-12-14(22-9(3)18)16(24-11(5)20)15(23-10(4)19)13(25-12)7-21-8(2)17/h1,12-16H,7H2,2-5H3/t12-,13+,14-,15+,16+/m0/s1
InChIKey
HAVBGJDVNNVPRE-ZVDSWSACSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
80.79
TPSA
114.43
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.21
XLogP3
-0.2
Consensus LogP
-0.22
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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