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CAS 3615-17-6 N-Acetyl-D-mannosamine Monohydrate molecular structure lightbox
CAS RN: 3615-17-6

N-Acetyl-D-mannosamine Monohydrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTA2160
  • Purity/Analytical Methods: >98.0%(HPLC)
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3615-17-6 / N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide;hydrate

Standard CAS: 3615-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3615-17-6
Multi CAS
Yes
Molecular Formula
C8H17NO7
Molecular Weight
239.220000
Exact Mass
239.100502
InChI
InChI=1S/C8H15NO6.H2O/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11;/h2,5-8,11,13-15H,3H2,1H3,(H,9,12);1H2
InChIKey
KVWIBLJBIFTKIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
52.39
TPSA
158.59

LogP / Solubility

WLOGP
-4.06
MLOGP
-3.57
XLogP3
-4.06
Consensus LogP
-3.9
Log S (ESOL)
1.63
Class (ESOL)
Highly soluble
Log S (Ali)
1.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.43
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)
-7.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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