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CAS 25546-65-0 RIBOSTAMYCIN SULFATE SALT molecular structure lightbox
CAS RN: 25546-65-0

RIBOSTAMYCIN SULFATE SALT

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4 package records0 with current stock1 grade group
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  • Product code: starshine_CAS25546-65-0
  • Purity/Analytical Methods: >99.0%
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25546-65-0 / 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

Standard CAS: 25546-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25546-65-0
Multi CAS
No
Molecular Formula
C17H34N4O10
Molecular Weight
454.500000
Exact Mass
454.227493
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N
InChI
InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKey
NSKGQURZWSPSBC-VVPCINPTSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
10
Molar refractivity
101.79
TPSA
262.38

LogP / Solubility

WLOGP
-6.65
MLOGP
-5.82
XLogP3
-6.3
Consensus LogP
-6.26
Log S (ESOL)
1.93
Class (ESOL)
Highly soluble
Log S (Ali)
1.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.19
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)
-10.22

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

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