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CAS 22860-22-6 (2R,3R,4S,5S,6S)-2-(Acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3,4,5-triyl triacetate molecular structure lightbox
CAS RN: 22860-22-6

(2R,3R,4S,5S,6S)-2-(Acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3,4,5-triyl triacetate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260307 1g In stock Hebei Inquiry
Batchno.20250204 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260619 5g In stock Shandong Inquiry
  • Product code: LINR891524
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22860-22-6 / (3,4,5-triacetyloxy-6-hydroxyoxan-2-yl)methyl acetate

Standard CAS: 22860-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22860-22-6
Multi CAS
No
Molecular Formula
C14H20O10
Molecular Weight
348.300000
Exact Mass
348.105647
SMILES
CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3
InChIKey
IEOLRPPTIGNUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
74.17
TPSA
134.66

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.81
XLogP3
0.1
Consensus LogP
-0.55
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-5.51

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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