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CAS 84808-02-6 G0 Glycan molecular structure lightbox
CAS RN: 84808-02-6

G0 Glycan

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 1mg Out of stock 30 business days Inquiry
  • Product code: ICTG0484
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84808-02-6 / N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 84808-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84808-02-6
Multi CAS
Yes
Molecular Formula
C50H84N4O36
Molecular Weight
1317.200000
Exact Mass
1316.486525
InChI
InChI=1S/2C2H6/c2*1-2/h2*1-2H3
InChIKey
KOWXKIHEBFTVRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
90
Fraction Csp3
0.9
Rotatable bonds
27
H-bond acceptors
36
H-bond donors
23
Molar refractivity
279.37
TPSA
628.6

LogP / Solubility

WLOGP
-15.86
MLOGP
-13.82
XLogP3
-14.1
Consensus LogP
-14.59
Log S (ESOL)
3.77
Class (ESOL)
Highly soluble
Log S (Ali)
1.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.7
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-22.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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