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CAS 39300-87-3 GALACTAN molecular structure lightbox
CAS RN: 39300-87-3

GALACTAN

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3 package records1 with current stock1 grade group
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Batchno.20250223 1g Out of stock Inquiry
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  • Product code: starshine_CAS39300-87-3
  • Purity/Analytical Methods: >99.0%
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39300-87-3 / 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

Standard CAS: 39300-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39300-87-3
Multi CAS
Yes
Molecular Formula
C14H26O11
Molecular Weight
370.350000
Exact Mass
370.147512
InChI
InChI=1S/C20H36O16/c1-30-15-6(3-21)33-19(13(28)9(15)24)36-17-8(5-23)34-20(14(29)11(17)26)35-16-7(4-22)32-18(31-2)12(27)10(16)25/h6-29H,3-5H2,1-2H3
InChIKey
HYRUXGRHTJRKNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
6
Molar refractivity
78.2
TPSA
167.53

LogP / Solubility

WLOGP
-4.09
MLOGP
-3.58
XLogP3
-4.2
Consensus LogP
-3.96
Log S (ESOL)
0.84
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.61
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)
-7.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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