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CAS 157574-76-0 6′-Sialyllactose Sodium Salt molecular structure lightbox
CAS RN: 157574-76-0

6′-Sialyllactose Sodium Salt

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 20mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250416 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 100mg In stock Inquiry
Batchno.20260523 20mg In stock Inquiry
Batchno.20260203 25mg In stock Inquiry
Batchno.20260215 5mg Out of stock Inquiry
  • Product code: ICTS0886
  • Purity/Analytical Methods: >98.0%(HPLC)
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157574-76-0 / sodium (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylate

Standard CAS: 157574-76-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
157574-76-0
Multi CAS
No
Molecular Formula
C23H38NNaO19
Molecular Weight
655.500000
Exact Mass
655.193572
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+]
InChI
InChI=1S/C23H39NO19.Na/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25;/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+;/m0./s1
InChIKey
LJNVKOGOHXWREM-MZZLGFSDSA-M

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.87
Rotatable bonds
15
H-bond acceptors
19
H-bond donors
12
Molar refractivity
128.62
TPSA
345.75

LogP / Solubility

WLOGP
-12.71
MLOGP
-11.13
XLogP3
-12.71
Consensus LogP
-12.18
Log S (ESOL)
5.09
Class (ESOL)
Highly soluble
Log S (Ali)
4.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.83
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)
-15.74

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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