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CAS 17090-79-8 Monensin molecular structure lightbox
CAS RN: 17090-79-8

Monensin

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260517 10mg Out of stock Inquiry
Batchno.20250521 1mg Out of stock Inquiry
Batchno.20260514 5mg Out of stock Inquiry
  • Product code: SSC-075288
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17090-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

17090-79-8 / (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid

Standard CAS: 17090-79-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
17090-79-8
Multi CAS
No
Molecular Formula
C36H62O11
Molecular Weight
670.900000
Exact Mass
670.429213
SMILES
CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C
InChI
InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
InChIKey
GAOZTHIDHYLHMS-KEOBGNEYSA-N

Physical Properties

Melting Point
MP: 103-105 °C /Monensin monohydrate/
Physical Description
Solid; [Merck Index]
Appearance
Crystals
State
Solid
Storage Conditions
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2-8 °C. Keep in a dry place. /Monensin sodium salt/

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.97
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
4
Molar refractivity
172.3
TPSA
153.37

LogP / Solubility

WLOGP
4.27
MLOGP
3.82
XLogP3
4.2
Consensus LogP
4.1
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H316: Causes mild skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P308+P316, P319, P321, P330, P333+P317, P362+P364, P405, and P501 P260, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P308+P316, P321, P330, P332+P317, P337+P317, P405, and P501 P264, P270, P301+P316, P321, P330, P405, and P501

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