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CAS 342385-52-8 2-KETO-L-GULONIC ACID molecular structure lightbox
CAS RN: 342385-52-8

2-KETO-L-GULONIC ACID

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 25g In stock Shanghai Inquiry
  • Product code: starshine_CAS342385-52-8
  • Purity/Analytical Methods: >99.0%
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342385-52-8 / 3,4,5,6-tetrahydroxy-2-oxohexanoic acid;hydrate

Standard CAS: 342385-52-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
342385-52-8
Multi CAS
Yes
Molecular Formula
C6H12O8
Molecular Weight
212.150000
Exact Mass
212.053217
InChI
InChI=1S/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);1H2
InChIKey
AJDGHHWRQQMMDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
41.36
TPSA
166.79

LogP / Solubility

WLOGP
-4.11
MLOGP
-3.61
XLogP3
-4.11
Consensus LogP
-3.94
Log S (ESOL)
1.76
Class (ESOL)
Highly soluble
Log S (Ali)
1.67
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.77
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)
-6.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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