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CAS 13224-99-2 4,6-O-Ethylidene-α-D-glucopyranose molecular structure lightbox
CAS RN: 13224-99-2

4,6-O-Ethylidene-α-D-glucopyranose

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: ICTE0402
  • Purity/Analytical Methods: >92.0%(GC)
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13224-99-2 / (4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol

Standard CAS: 13224-99-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13224-99-2
Multi CAS
No
Molecular Formula
C8H14O6
Molecular Weight
206.190000
Exact Mass
206.079038
SMILES
CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O)O)O
InChI
InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/m1/s1
InChIKey
VZPBLPQAMPVTFO-NKWOADHPSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
43.18
TPSA
88.38

LogP / Solubility

WLOGP
-1.81
MLOGP
-1.59
XLogP3
-1.8
Consensus LogP
-1.73
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
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)
-5.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

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