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CAS 124650-29-9 Octyla-D-mannopyranoside molecular structure lightbox
CAS RN: 124650-29-9

Octyla-D-mannopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS124650-29-9
  • Purity/Analytical Methods: >99.0%
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124650-29-9 / (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol

Standard CAS: 124650-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124650-29-9
Multi CAS
No
Molecular Formula
C14H28O6
Molecular Weight
292.370000
Exact Mass
292.188589
SMILES
CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13+,14+/m1/s1
InChIKey
HEGSGKPQLMEBJL-DGTMBMJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
73.1
TPSA
99.38

LogP / Solubility

WLOGP
0.16
MLOGP
0.15
XLogP3
1.4
Consensus LogP
0.57
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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