CAS RN: 61259-48-1
D-Gluconic acid, δ-lactone, 2,3,4,6-tetraacetate
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.20251228 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61259-48-1
- Purity/Analytical Methods: >99.0%
61259-48-1 / [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-oxooxan-2-yl]methyl acetate
Basic Information
CAS
61259-48-1
Multi CAS
Yes
Molecular Formula
C14H18O10
Molecular Weight
346.290000
Exact Mass
346.089997
InChI
InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKey
BWFISYIJSZXAOV-FVCCEPFGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
10
Molar refractivity
73.18
TPSA
131.5
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.62
XLogP3
-0.3
Consensus LogP
-0.55
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-5.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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