CAS RN: 91446-96-7
5-KETO-D-GLUCONIC ACID POTASSIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250529 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS91446-96-7
- Purity/Analytical Methods: >99.0%
91446-96-7 / potassium (2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate
Basic Information
CAS
91446-96-7
Multi CAS
Yes
Molecular Formula
C6H9KO7
Molecular Weight
232.230000
Exact Mass
231.998534
InChI
InChI=1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+1/p-1/t3-,4+,5-;/m1./s1
InChIKey
GSFHMOMWXNDPMM-YMDUGQBDSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
35.12
TPSA
138.12
LogP / Solubility
WLOGP
-7.62
MLOGP
-6.7
XLogP3
-7.62
Consensus LogP
-7.31
Log S (ESOL)
3.85
Class (ESOL)
Highly soluble
Log S (Ali)
4.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.55
Class (SILICOS-IT)
Highly 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)
-9.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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