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CAS 18423-66-0 D-XYLONO-1,4-LACTONE molecular structure lightbox
CAS RN: 18423-66-0

D-XYLONO-1,4-LACTONE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg Out of stock Inquiry
Batchno.20250129 1g In stock Inquiry
Batchno.20250821 250mg In stock Inquiry
Batchno.20251121 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS18423-66-0
  • Purity/Analytical Methods: >99.0%
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18423-66-0 / (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

Standard CAS: 18423-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18423-66-0
Multi CAS
No
Molecular Formula
C5H8O5
Molecular Weight
148.110000
Exact Mass
148.037173
SMILES
C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O
InChI
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
InChIKey
CUOKHACJLGPRHD-FLRLBIABSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
28.98
TPSA
86.99

LogP / Solubility

WLOGP
-2.37
MLOGP
-2.1
XLogP3
-1.4
Consensus LogP
-1.96
Log S (ESOL)
0.8
Class (ESOL)
Highly soluble
Log S (Ali)
0.94
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.23
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)
-5.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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