[email protected]
CAS 18465-50-4 4,6-O-Ethylidene-D-glucopyranose molecular structure lightbox
CAS RN: 18465-50-4

4,6-O-Ethylidene-D-glucopyranose

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 1g / 5g / 25g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS18465-50-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18465-50-4 / (4aR,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol

Standard CAS: 18465-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18465-50-4
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(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-DBVAJOADSA-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

Customers Also Viewed

Get In Touch

Contact Us