Everninomicin D
TL;DR: Everninomicin D (CAS 39340-46-0) is a chemical compound with molecular formula C66H99Cl2NO35 and molecular weight 1535.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]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-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Also Known As: Everninomicin D, HY-N14230, Flambamycin, 57-demethyl-45-O-de(2-methyl-1-oxopropyl)-59-deoxo-23-deoxy-59-methoxy-45-O-methyl-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl)-, (59S)-, [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]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-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate, beta-D-Mannopyranoside, O-4-C-(1-methoxyethyl)-2,3-O-methylenepentopyranosylidene-(1-3-4)-2-O-methyl-alpha-L-lyxopyranosyl-O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl-(1-3)-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-2,6-dideoxy-3-C-methyl-beta-D-arabino-hexopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-
| Molecular Formula | C66H99Cl2NO35 |
|---|---|
| Molecular Weight | 1535.54 g/mol |
| LogP | 1.76622 |
| Topological Polar Surface Area | 410.57 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 22 |
| Exact Mass | 1535.5375 |
| Heavy Atoms | 104 |
| Complexity | 3140.4277 |
Chemical Identifiers
| CAS Number | 39340-46-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@](CO9)([C@H](C)OC)O)OCO1)OC)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C |
Product Overview
Everninomicin D (CAS 39340-46-0), with molecular formula C66H99Cl2NO35 and molecular weight 1535.54 g/mol. IUPAC: [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]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-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate.
Chemical Property Profile of Everninomicin D
Property Insights of Everninomicin D
The XLogP value of 1.76622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Everninomicin D. The TPSA of 410.57 Ų indicates high polarity, suggesting Everninomicin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Everninomicin D has 5 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Everninomicin D?
The CAS number of Everninomicin D is 39340-46-0.
What is the molecular formula of Everninomicin D?
The molecular formula of Everninomicin D is C66H99Cl2NO35.
What is the molecular weight of Everninomicin D?
The molecular weight of Everninomicin D is 1535.54 g/mol.
Where can I buy Everninomicin D?
You can request a quote for Everninomicin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Everninomicin D?
Yes, KEHONG BIO provides custom synthesis services for Everninomicin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.