CAS RN: 76152-09-5
N-Acetylneuraminic Acid Trimer alpha(2-8), ≥95%(LC)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251031 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINN918457
76152-09-5 / (4S,5R)-5-acetamido-2-[(1S,2R)-1-[(3R,4S)-3-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-8-carboxy-1,3,4,6-tetrahydroxy-8-oxooctan-2-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Basic Information
CAS
76152-09-5
Multi CAS
Yes
Molecular Formula
C33H53N3O25
Molecular Weight
891.800000
Exact Mass
891.296814
InChI
InChI=1S/C33H53N3O25/c1-10(40)34-20(13(43)4-14(44)29(52)53)26(51)24(49)18(8-38)58-32(30(54)55)6-16(46)22(36-12(3)42)28(61-32)25(50)19(9-39)59-33(31(56)57)5-15(45)21(35-11(2)41)27(60-33)23(48)17(47)7-37/h13,15-28,37-39,43,45-51H,4-9H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)(H,54,55)(H,56,57)/t13-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27?,28?,32?,33?/m0/s1
InChIKey
IVNVUKOMJIKCQZ-IXGFAEHKSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Fraction Csp3
0.79
Rotatable bonds
23
H-bond acceptors
22
H-bond donors
17
Molar refractivity
188.85
TPSA
475.72
LogP / Solubility
WLOGP
-9.68
MLOGP
-8.44
XLogP3
-9.1
Consensus LogP
-9.07
Log S (ESOL)
2.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very 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)
-15.03
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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