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CAS 26098-04-4 Gentamicin C1a molecular structure lightbox
CAS RN: 26098-04-4

Gentamicin C1a

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26098-04-4
  • Purity/Analytical Methods: >99.0%
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26098-04-4 / (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Standard CAS: 26098-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26098-04-4
Multi CAS
No
Molecular Formula
C19H39N5O7
Molecular Weight
449.500000
Exact Mass
449.284949
SMILES
C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O
InChI
InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
InChIKey
VEGXETMJINRLTH-BOZYPMBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
8
Molar refractivity
110.46
TPSA
213.72

LogP / Solubility

WLOGP
-3.98
MLOGP
-3.47
XLogP3
-5
Consensus LogP
-4.15
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
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)
-8.29

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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