CAS RN: 376645-66-8

N-Acetyl-D-mannosamine-d3

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Batchno.20251111 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS376645-66-8
  • Purity/Analytical Methods: >99.0%
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376645-66-8 / N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide

Standard CAS: 376645-66-8 Multi CAS: Yes

Basic Information

CAS
376645-66-8
Multi CAS
Yes
Molecular Formula
C8H15NO6
Molecular Weight
221.210000
Exact Mass
221.089937
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1/i1D3
InChIKey
OVRNDRQMDRJTHS-UQQFJJNZSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
48.77
TPSA
127.09

LogP / Solubility

WLOGP
-3.23
MLOGP
-2.84
XLogP3
-3.4
Consensus LogP
-3.16
Log S (ESOL)
1.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
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)
-6.37

Drug-likeness / Medicinal Chemistry

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

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