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CAS 20226-99-7 (+)-Potassium Ds-threo-isocitrate monobasic, ≥98.0% (NT) molecular structure lightbox
CAS RN: 20226-99-7

(+)-Potassium Ds-threo-isocitrate monobasic, ≥98.0% (NT)

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100g In stock Inquiry
Batchno.20260218 1g In stock Inquiry
Batchno.20250214 250mg In stock Inquiry
Batchno.20260328 25g In stock Inquiry
Batchno.20250103 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: LINP919910
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20226-99-7 / potassium (2S,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate

Standard CAS: 20226-99-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20226-99-7
Multi CAS
No
Molecular Formula
C6H7KO7
Molecular Weight
230.210000
Exact Mass
229.982884
SMILES
C([C@@H]([C@H](C(=O)O)O)C(=O)[O-])C(=O)O.[K+]
InChI
InChI=1S/C6H8O7.K/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+1/p-1/t2-,4+;/m0./s1
InChIKey
IVLPTBJBFVJENN-LEJBHHMKSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
34.39
TPSA
134.96

LogP / Solubility

WLOGP
-5.72
MLOGP
-5.03
XLogP3
-5.72
Consensus LogP
-5.49
Log S (ESOL)
2.67
Class (ESOL)
Highly soluble
Log S (Ali)
2.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.99
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)
-8.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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