CAS RN: 136132-71-3
2-ACETAMIDO-2-DEOXY-3-O-(2-O-SULFO-BETA-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-4-O-SULFO-D-GALACTOSE, 3NA
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250217 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS136132-71-3
- Purity/Analytical Methods: >99.0%
136132-71-3 / trisodium;(3R,4S)-2-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
136132-71-3
Multi CAS
No
Molecular Formula
C14H18NNa3O17S2
Molecular Weight
605.400000
Exact Mass
604.970923
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)OS(=O)(=O)[O-])OC2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C14H21NO17S2.3Na/c1-4(17)15-8-11(10(32-34(25,26)27)7(3-16)28-13(8)21)30-14-9(31-33(22,23)24)5(18)2-6(29-14)12(19)20;;;/h2,5,7-11,13-14,16,18,21H,3H2,1H3,(H,15,17)(H,19,20)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/t5-,7+,8+,9+,10-,11+,13?,14?;;;/m0.../s1
InChIKey
QTXFYAVTBRRGLE-QYAHXJAGSA-K
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
17
H-bond donors
4
Molar refractivity
93.55
TPSA
290.47
LogP / Solubility
WLOGP
-15.36
MLOGP
-13.47
XLogP3
-15.36
Consensus LogP
-14.73
Log S (ESOL)
6.68
Class (ESOL)
Highly soluble
Log S (Ali)
6.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.07
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)
-17.32
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
8
Customers Also Viewed
-
![CAS 136132-72-4 ALPHA-DELTA-UA-[1->3]-GALNAC-6S SODIUM SALT molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
ALPHA-DELTA-UA-[1->3]-GALNAC-6S SODIUM SALT
- CAS RN: 136132-72-4
- Product Code: starshine_CAS136132-72-4
- Purity/Analytical method: >99.0%
-
3,7-Di-O-methylducheside A
- CAS RN: 136133-08-9
- Product Code: starshine_CAS136133-08-9
- Purity/Analytical method: >99.0%
-
Amphotericin X1 (13-O-Methyl Amphotericin B)
- CAS RN: 136135-57-4
- Product Code: starshine_CAS136135-57-4
- Purity/Analytical method: >99.0%
-
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)-
- CAS RN: 136140-32-4
- Product Code: starshine_CAS136140-32-4
- Purity/Analytical method: >99.0%
-
ALPHA-DELTA-UA-[1->3]-GALNAC-4S SODIUM SALT
- CAS RN: 136144-56-4
- Product Code: starshine_CAS136144-56-4
- Purity/Analytical method: >99.0%
-
![CAS 136132-72-4 ALPHA-DELTA-UA-[1->3]-GALNAC-6S SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136132-72-4.gif)
![CAS 136144-56-4 ALPHA-DELTA-UA-[1->3]-GALNAC-4S SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136144-56-4.gif)
