TL;DR: Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- (CAS 126145-78-6) is a chemical compound with molecular formula C64H93N3O21 and molecular weight 1239.6301 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-11-(morpholine-4-carbonyl)-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(morpholine-4-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(morpholine-4-carbonyl)oxan-4-yl] acetate
Also Known As: Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-11-(morpholine-4-carbonyl)-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(morpholine-4-carbonyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(morpholine-4-carbonyl)oxan-4-yl] acetate, BRN 4289669
| Molecular Formula | C64H93N3O21 |
| Molecular Weight | 1239.6301 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 274.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 17 |
| Exact Mass | 1239.6301 Da |
| Heavy Atoms | 88 |
| Complexity | 2760.0 |
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)N2CCOCC2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)N9CCOCC9)C)C)C)C)C(=O)N1CCOCC1)OC(=O)C)OC(=O)C |
| InChIKey | PYHZVCPVEQVHIJ-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 274.0 Ų indicates high polarity, suggesting Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- is 126145-78-6.
The molecular formula of Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- is C64H93N3O21.
The molecular weight of Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- is 1239.6301 g/mol.
You can request a quote for Morpholine, 4-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-(4-morpholinyl)-6-oxo-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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