Mycalolide D
TL;DR: Mycalolide D (CAS 168301-18-6) is a chemical compound with molecular formula C50H72N4O17 and molecular weight 1000.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(12Z,23Z)-15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo[23.2.1.12,5]nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate
Also Known As: Mycalolide D, [(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(12E,23E)-15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo[23.2.1.12,5]nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate, [(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(12Z,23Z)-15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo[23.2.1.12,5]nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate, Propanoic acid, 2,3-dimethoxy-, 3-(acetyloxy)-6-(formylmethylamino)-1-(5-(15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo(23.2.1.12,5)nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl)-4-methoxy-3-methylpentyl)-2,4-dimethyl-5-hexenyl ester
| Molecular Formula | C50H72N4O17 |
|---|---|
| Molecular Weight | 1000.49 g/mol |
| LogP | 5.0588 |
| Topological Polar Surface Area | 271.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 1000.48926 |
| Heavy Atoms | 71 |
| Complexity | 2131.9414 |
Chemical Identifiers
| CAS Number | 168301-18-6 |
|---|---|
| SMILES | CC1CC(=O)/C=C\CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C(=O)NC1=O)OC)C)CC(C(C)CCC(C(C)C(C(C)/C=C/N(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O |
Product Overview
Mycalolide D (CAS 168301-18-6), with molecular formula C50H72N4O17 and molecular weight 1000.49 g/mol. IUPAC: [(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(12Z,23Z)-15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo[23.2.1.12,5]nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate.
Chemical Property Profile of Mycalolide D
Property Insights of Mycalolide D
The XLogP value of 5.0588 indicates that Mycalolide D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 271.66 Ų indicates high polarity, suggesting Mycalolide D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycalolide D has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycalolide D?
The CAS number of Mycalolide D is 168301-18-6.
What is the molecular formula of Mycalolide D?
The molecular formula of Mycalolide D is C50H72N4O17.
What is the molecular weight of Mycalolide D?
The molecular weight of Mycalolide D is 1000.49 g/mol.
Where can I buy Mycalolide D?
You can request a quote for Mycalolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycalolide D?
Yes, KEHONG BIO provides custom synthesis services for Mycalolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.