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CAS 92448-22-1 SIALYL LEWIS A, SODIUM SALT molecular structure lightbox
CAS RN: 92448-22-1

SIALYL LEWIS A, SODIUM SALT

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 2mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS92448-22-1
  • Purity/Analytical Methods: >99.0%
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92448-22-1 / (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Standard CAS: 92448-22-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
92448-22-1
Multi CAS
Yes
Molecular Formula
C31H52N2O23
Molecular Weight
820.700000
Exact Mass
820.296086
InChI
InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)54-25(15(42)7-36)24(12(5-34)32-10(2)38)53-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
InChIKey
INZOTETZQBPBCE-NYLDSJSYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
0.87
Rotatable bonds
18
H-bond acceptors
22
H-bond donors
15
Molar refractivity
174.06
TPSA
410.71

LogP / Solubility

WLOGP
-9.39
MLOGP
-8.18
XLogP3
-8.6
Consensus LogP
-8.72
Log S (ESOL)
2.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.63
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)
-14.39

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

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