Antibiotic RP 21190
TL;DR: Antibiotic RP 21190 (CAS 42617-24-3) is a chemical compound with molecular formula C61H88Cl2O33 and molecular weight 1418.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4R,6S)-4-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2R,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3,6-dihydroxy-5-methoxyoxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-hydroxy-6-methylcyclohexyl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Also Known As: Flambamycin, Antibiotic RP 21190, [(1R,2R,4R,6S)-4-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2R,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3,6-dihydroxy-5-methoxyoxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-hydroxy-6-methylcyclohexyl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate, (1R,2R,4R,6S)-4-(((2R,3a'R,4R,4'R,5S,6R,6'S,7'S,7a'R)-6'-(((2R,3R,4R,5R,6S)-2-(((2R,3S,4S,5S,6S)-6-(((2R,3aS,3a'R,6S,6'R,7R,7aR,7'S,7a'R)-7'-acetyl-7'-hydroxy-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl)oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,6-dihydroxy-5-methoxytetrahydro-2H-pyran-4-yl)oxy)-4,7'-dihydroxy-4',6,7a'-trimethyloctahydro-4'H-spiro[pyran-2,2'-[1,3]dioxolo[4,5-c]pyran]-5-yl)oxy)-2-hydroxy-6-methylcyclohexyl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate, beta-D-Mannopyranoside, O-4-C-acetyl-6-deoxy-2,3-O-methylenehexopyranosylidene-(1-3-4)-2-O-(2-methyl-1-oxopropyl)-alpha-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-O-6-deoxy-3-C-methyl-beta-D-mannopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-
| Molecular Formula | C61H88Cl2O33 |
|---|---|
| Molecular Weight | 1418.46 g/mol |
| LogP | -0.38368 |
| Topological Polar Surface Area | 416.11 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 18 |
| Exact Mass | 1418.4585 |
| Heavy Atoms | 96 |
| Complexity | 2926.8452 |
Chemical Identifiers
| CAS Number | 42617-24-3 |
|---|---|
| SMILES | C[C@H]1C[C@H](C[C@H]([C@@H]1OC(=O)C2=C(C(=C(C(=C2OC)Cl)O)Cl)C)O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H]([C@H]([C@]5(O4)C)O)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)O)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C |
Product Overview
Antibiotic RP 21190 (CAS 42617-24-3), with molecular formula C61H88Cl2O33 and molecular weight 1418.46 g/mol. IUPAC: [(1R,2R,4R,6S)-4-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2R,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3,6-dihydroxy-5-methoxyoxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-hydroxy-6-methylcyclohexyl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate.
Chemical Property Profile of Antibiotic RP 21190
Property Insights of Antibiotic RP 21190
The XLogP value of -0.38368 indicates that Antibiotic RP 21190 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 416.11 Ų indicates high polarity, suggesting Antibiotic RP 21190 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic RP 21190 has 8 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic RP 21190?
The CAS number of Antibiotic RP 21190 is 42617-24-3.
What is the molecular formula of Antibiotic RP 21190?
The molecular formula of Antibiotic RP 21190 is C61H88Cl2O33.
What is the molecular weight of Antibiotic RP 21190?
The molecular weight of Antibiotic RP 21190 is 1418.46 g/mol.
Where can I buy Antibiotic RP 21190?
You can request a quote for Antibiotic RP 21190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic RP 21190?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic RP 21190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.