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CAS 72692-06-9 2,3,4-Tri-O-acetyl-α-D-glucuronic Acid Methyl Ester molecular structure lightbox
CAS RN: 72692-06-9

2,3,4-Tri-O-acetyl-α-D-glucuronic Acid Methyl Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-182179
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72692-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

72692-06-9 / methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate

Standard CAS: 72692-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72692-06-9
Multi CAS
Yes
Molecular Formula
C13H18O10
Molecular Weight
334.280000
Exact Mass
334.089997
InChI
InChI=1S/C13H18O10/c1-5(14)20-8-9(21-6(2)15)11(22-7(3)16)13(18)23-10(8)12(17)19-4/h8-11,13,18H,1-4H3/t8-,9-,10-,11+,13-/m0/s1
InChIKey
CLHFNXQWJBTGBL-OBBGECFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
1
Molar refractivity
69.56
TPSA
134.66

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.15
XLogP3
-0.8
Consensus LogP
-1.09
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-5.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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