Demissine
TL;DR: Demissine (CAS 6077-69-6) is a chemical compound with molecular formula C50H83NO20 and molecular weight 1017.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Demissine, KST-1A6655, (3, A,5, A)-solanidan-3-yl
| Molecular Formula | C50H83NO20 |
|---|---|
| Molecular Weight | 1017.55 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1017.55084 |
| Heavy Atoms | 71 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 6077-69-6 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)C |
| InChIKey | KWRYHKRVKRBBBU-MRHVGSHXSA-N |
Product Overview
Demissine (CAS 6077-69-6), with molecular formula C50H83NO20 and molecular weight 1017.55 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Demissine
Property Insights of Demissine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demissine. The TPSA of 320.0 Ų indicates high polarity, suggesting Demissine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demissine has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demissine?
The CAS number of Demissine is 6077-69-6.
What is the molecular formula of Demissine?
The molecular formula of Demissine is C50H83NO20.
What is the molecular weight of Demissine?
The molecular weight of Demissine is 1017.55 g/mol.
Where can I buy Demissine?
You can request a quote for Demissine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demissine?
Yes, KEHONG BIO provides custom synthesis services for Demissine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.