[email protected]
CAS 68539-16-2 (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate molecular structure lightbox
CAS RN: 68539-16-2

(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 100g In stock Shanghai Inquiry
Batchno.20250831 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250525 500g In stock Shanghai Inquiry
Batchno.20250811 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-178270
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: 97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68539-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 97% 1 In Stock Beijing Inquiry
10g 97% 1 In Stock Hong Kong Inquiry
25g 97% 1 In Stock Shenzhen Inquiry
100g 97% 1 In Stock Shenzhen Inquiry

68539-16-2 / (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid;hydrate

Standard CAS: 68539-16-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68539-16-2
Multi CAS
Yes
Molecular Formula
C12H20O8
Molecular Weight
292.280000
Exact Mass
292.115818
InChI
InChI=1S/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/m0./s1
InChIKey
ZFQRGFMVXLSLKZ-QCILGFJPSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.79
TPSA
114.95

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.3
XLogP3
-0.36
Consensus LogP
-0.34
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us