![CAS 136098-10-7 ALPHA-DELTA-UA-2S-[1->4]-GLCNS-6S SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136098-10-7.gif)
CAS RN: 136098-10-7
ALPHA-DELTA-UA-2S-[1->4]-GLCNS-6S SODIUM SALT
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.20250618 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS136098-10-7
- Purity/Analytical Methods: >99.0%
136098-10-7 / tetrasodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
136098-10-7
Multi CAS
No
Molecular Formula
C12H15NNa4O19S3
Molecular Weight
665.400000
Exact Mass
664.899118
SMILES
C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C12H19NO19S3.4Na/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21;;;;/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;/q;4*+1/p-4/t3-,5+,6+,7+,8+,9+,11?,12-;;;;/m0..../s1
InChIKey
RTDJNTXPZMQNEV-LXFQAIKPSA-J
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
19
H-bond donors
4
Molar refractivity
92.57
TPSA
330.6
LogP / Solubility
WLOGP
-19.44
MLOGP
-17.05
XLogP3
-19.44
Consensus LogP
-18.64
Log S (ESOL)
8.94
Class (ESOL)
Highly soluble
Log S (Ali)
9.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
10.95
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)
-20.58
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
8
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