Amphidinol 3
TL;DR: Amphidinol 3 (CAS 190781-74-9) is a chemical compound with molecular formula C70H118O23 and molecular weight 1326.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-[(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-23,30-dimethyltritriaconta-4,8,30-triene-1,2,6,10,14,20,21,24,25,27,32,33-dodecol
Also Known As: Amphidinol 3, J1.005.791D, (2R,3R,4R,6R)-2-[(1S,2R,3E,7S,9S,10R,11S,13S,14S,20R,24R,25E,28R,29E,32S)-1,2,7,9,10,13,14,20,24,28,32,33-Dodecahydroxy-4,11-dimethyltritriaconta-3,25,29-trienyl]-6-[(1R,5R,6R)-1,5,6-trihydroxy-4-methylene-6-[[(2R,3R,4R,6R)-3,4-dihydroxy-2-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexenyl]tetrahydro-2H-pyran]-6-yl]hexyl]tetrahydro-2H-pyran-3,4-diol, (2S,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-[(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaen-1-yl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-23,30-dimethyltritriaconta-4,8,30-triene-1,2,6,10,14,20,21,24,25,27,32,33-dodecol
| Molecular Formula | C70H118O23 |
|---|---|
| Molecular Weight | 1326.81 g/mol |
| LogP | 1.5317 |
| Topological Polar Surface Area | 443.29 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 49 |
| Exact Mass | 1326.8064 |
| Heavy Atoms | 93 |
| Complexity | 2238.42 |
Chemical Identifiers
| CAS Number | 190781-74-9 |
|---|---|
| SMILES | C[C@@H](C[C@@H]([C@H](CCCCC[C@H](CCC[C@H](/C=C/C[C@H](/C=C/C[C@@H](CO)O)O)O)O)O)O)[C@H]([C@H](C[C@H](CC/C(=C/[C@H]([C@@H]([C@H]1[C@@H]([C@@H](C[C@@H](O1)[C@@H](CCC(=C)[C@H]([C@H]([C@H]2C[C@H]([C@H]([C@@H](O2)[C@H]([C@@H](/C=C/CC/C=C/C=C/C=C/CC/C=C/C=C)O)O)O)O)O)O)O)O)O)O)O)/C)O)O)O |
Product Overview
Amphidinol 3 (CAS 190781-74-9), with molecular formula C70H118O23 and molecular weight 1326.81 g/mol. IUPAC: (2S,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-[(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-23,30-dimethyltritriaconta-4,8,30-triene-1,2,6,10,14,20,21,24,25,27,32,33-dodecol.
Chemical Property Profile of Amphidinol 3
Property Insights of Amphidinol 3
The XLogP value of 1.5317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amphidinol 3. The TPSA of 443.29 Ų indicates high polarity, suggesting Amphidinol 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amphidinol 3 has 21 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amphidinol 3?
The CAS number of Amphidinol 3 is 190781-74-9.
What is the molecular formula of Amphidinol 3?
The molecular formula of Amphidinol 3 is C70H118O23.
What is the molecular weight of Amphidinol 3?
The molecular weight of Amphidinol 3 is 1326.81 g/mol.
Where can I buy Amphidinol 3?
You can request a quote for Amphidinol 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amphidinol 3?
Yes, KEHONG BIO provides custom synthesis services for Amphidinol 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.