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CAS 42927-46-8 D-Xylofuranose tetraacetate molecular structure lightbox
CAS RN: 42927-46-8

D-Xylofuranose tetraacetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS42927-46-8
  • Purity/Analytical Methods: >99.0%
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42927-46-8 / (3,4,5-triacetyloxyoxolan-2-yl)methyl acetate

Standard CAS: 42927-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42927-46-8
Multi CAS
Yes
Molecular Formula
C13H18O9
Molecular Weight
318.280000
Exact Mass
318.095082
InChI
InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3
InChIKey
IHNHAHWGVLXCCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
68.17
TPSA
114.43

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.25
XLogP3
0.7
Consensus LogP
0.05
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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