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CAS 73499-58-8 Galβ(1-3)[GlcNAcβ(1-6)]GalNAc molecular structure lightbox
CAS RN: 73499-58-8

Galβ(1-3)[GlcNAcβ(1-6)]GalNAc

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 1mg Out of stock 30 business days Inquiry
  • Product code: ICTG0529
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73499-58-8 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 73499-58-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73499-58-8
Multi CAS
Yes
Molecular Formula
C22H38N2O16
Molecular Weight
586.500000
Exact Mass
586.222133
InChI
InChI=1S/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14+,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
InChIKey
ASGUPKXCDOJNJC-INXDIBGXSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.86
Rotatable bonds
13
H-bond acceptors
16
H-bond donors
11
Molar refractivity
125.64
TPSA
294.26

LogP / Solubility

WLOGP
-7.44
MLOGP
-6.5
XLogP3
-6.6
Consensus LogP
-6.85
Log S (ESOL)
2.07
Class (ESOL)
Highly soluble
Log S (Ali)
1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.14
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)
-11.58

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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