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CAS 55717-54-9 N-Acetyl-9-O-acetylneuraminic Acid molecular structure lightbox
CAS RN: 55717-54-9

N-Acetyl-9-O-acetylneuraminic Acid

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 1mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260326 5mg Out of stock 5-7 business days Inquiry
  • Product code: ICTA3414
  • Purity/Analytical Methods: >75.0%(HPLC)
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55717-54-9 / (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Standard CAS: 55717-54-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55717-54-9
Multi CAS
Yes
Molecular Formula
C13H21NO10
Molecular Weight
351.310000
Exact Mass
351.116546
InChI
InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
InChIKey
NYWZBRWKDRMPAS-GRRZBWEESA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
6
Molar refractivity
74.33
TPSA
182.85

LogP / Solubility

WLOGP
-3.3
MLOGP
-2.89
XLogP3
-2.9
Consensus LogP
-3.03
Log S (ESOL)
0.46
Class (ESOL)
Highly soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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