CAS RN: 37758-47-7
Ganglioside GM1
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 1mg / 5mg / 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: ICTG0483
37758-47-7 / (2S,4S,5R,6R)-5-acetamido-6-[3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Basic Information
CAS
37758-47-7
Multi CAS
Yes
Molecular Formula
C73H131N3O31
Molecular Weight
1546.800000
Exact Mass
1545.876654
InChI
InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-99-69-61(93)59(91)63(50(38-79)102-69)104-71-62(94)67(98-41-47(85)55(87)66-53(74-42(3)81)46(84)35-73(97,107-66)72(95)96)64(51(39-80)103-71)105-68-54(75-43(4)82)65(57(89)49(37-78)100-68)106-70-60(92)58(90)56(88)48(36-77)101-70/h31,33,44-51,53-71,77-80,83-85,87-94,97H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,95,96)/t44?,45?,46-,47?,48+,49+,50+,51+,53+,54+,55?,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-/m0/s1
InChIKey
CNLVNZJJSHZYAS-SIHVLHMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
107
Fraction Csp3
0.92
Rotatable bonds
52
H-bond acceptors
30
H-bond donors
20
Molar refractivity
378.35
TPSA
540.58
LogP / Solubility
WLOGP
-1.04
MLOGP
-0.76
XLogP3
4
Consensus LogP
0.73
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-11.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.09
Class (SILICOS-IT)
Insoluble
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)
-12.9
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
![CAS 73499-58-8 Galβ(1-3)[GlcNAcβ(1-6)]GalNAc molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/g0529-jpgcontextbwfzdgvyfhjvb3r8ndqynjl8aw1hz2uvanblz3xoodavadawlzg5mza4mtu3nza2ntqvrza1mjkuanbnfde3njjiymrmowvkytdkmjizzmnkywewyjlintbkmde2ztllodi5mdvkytcwognkmdrkyzawmgi4mjk1ywm3ztm.jpeg)
