![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)
CAS RN: 136144-56-4
ALPHA-DELTA-UA-[1->3]-GALNAC-4S SODIUM SALT
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS136144-56-4
- Purity/Analytical Methods: >99.0%
136144-56-4 / disodium;(2R,3R,4S)-2-[(2R,3R,4S,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-sulfonatooxyhexan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
136144-56-4
Multi CAS
No
Molecular Formula
C14H19NNa2O14S
Molecular Weight
503.300000
Exact Mass
503.032164
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)OS(=O)(=O)[O-])O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C14H21NO14S.2Na/c1-5(18)15-6(3-16)11(12(8(20)4-17)29-30(24,25)26)28-14-10(21)7(19)2-9(27-14)13(22)23;;/h2-3,6-8,10-12,14,17,19-21H,4H2,1H3,(H,15,18)(H,22,23)(H,24,25,26);;/q;2*+1/p-2/t6-,7-,8+,10+,11+,12-,14-;;/m0../s1
InChIKey
DFRMXDKXNRVAFE-WBOKVGFFSA-L
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.64
Rotatable bonds
11
H-bond acceptors
14
H-bond donors
5
Molar refractivity
86.18
TPSA
252.11
LogP / Solubility
WLOGP
-12.01
MLOGP
-10.53
XLogP3
-12.01
Consensus LogP
-11.52
Log S (ESOL)
5.33
Class (ESOL)
Highly soluble
Log S (Ali)
4.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.71
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)
-14.31
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
Customers Also Viewed
-
-
O(1),O(3)-BIS(CARBOXYMETHYL)-O(2),O(4)-DIMETHYL-P-T-BUTYLCALIX(4)ARENE
- CAS RN: 136157-98-7
- Product Code: starshine_CAS136157-98-7
- Purity/Analytical method: >99.0%
-
E 3330
- CAS RN: 136164-66-4
- Product Code: starshine_CAS136164-66-4
- Purity/Analytical method: >99.0%
-
Oxiranecarboxylic acid, 3-(hydroxymethyl)-, ethyl ester, (2S-trans)- (9CI)
- CAS RN: 136171-94-3
- Product Code: SSC-045068
-
6-O-Caffeoylarbutin
- CAS RN: 136172-60-6
- Product Code: starshine_CAS136172-60-6
- Purity/Analytical method: >99.0%
-
(3R,4E)-Methyl 3-(dimethylphenylsilyl)-4-hexenoate
- CAS RN: 136174-52-2
- Product Code: starshine_CAS136174-52-2
- Purity/Analytical method: >99.0%