![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 RN: 136132-72-4
ALPHA-DELTA-UA-[1->3]-GALNAC-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.20250318 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS136132-72-4
- Purity/Analytical Methods: >99.0%
136132-72-4 / disodium;(3R,4S)-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
136132-72-4
Multi CAS
No
Molecular Formula
C14H19NNa2O14S
Molecular Weight
503.300000
Exact Mass
503.032164
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)[O-])O)OC2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C14H21NO14S.2Na/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21;;/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25);;/q;2*+1/p-2/t5-,7+,8+,9+,10-,11+,13?,14?;;/m0../s1
InChIKey
JLCMHASLMZGEFC-KHMUHUMZSA-L
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
5
Molar refractivity
84.99
TPSA
244.27
LogP / Solubility
WLOGP
-11.85
MLOGP
-10.39
XLogP3
-11.85
Consensus LogP
-11.36
Log S (ESOL)
4.97
Class (ESOL)
Highly soluble
Log S (Ali)
4.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.06
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)
-14.2
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
6.5
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