CAS RN: 59-01-8
KANAMYCIN
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS59-01-8
- Purity/Analytical Methods: >99.0%
59-01-8 / 2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
Basic Information
CAS
59-01-8
Multi CAS
Yes
Molecular Formula
C18H36N4O11
Molecular Weight
484.500000
Exact Mass
484.238058
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2
InChIKey
SBUJHOSQTJFQJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
11
Molar refractivity
107.79
TPSA
282.61
LogP / Solubility
WLOGP
-7.29
MLOGP
-6.38
XLogP3
-6.9
Consensus LogP
-6.86
Log S (ESOL)
2.15
Class (ESOL)
Highly soluble
Log S (Ali)
1.73
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.52
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)
-10.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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