Malolactomycin D
TL;DR: Malolactomycin D (CAS 189759-06-6) is a chemical compound with molecular formula C61H107N3O20 and molecular weight 1201.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[17-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]-3-oxopropanoic acid
Also Known As: Malolactomycin D, 3-[[17-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]-3-oxopropanoic acid, Propanedioic acid, mono(17-(9-((aminoiminomethyl)amino)-1,3-dimethyl-3-nonenyl)-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo(35.3.1)hentetraconta-12,14,22-trien-3-yl) ester, 3-[[(12E,14E,22E)-17-[(E)-10-(Diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]-3-oxopropanoic acid
| Molecular Formula | C61H107N3O20 |
|---|---|
| Molecular Weight | 1201.74 g/mol |
| LogP | 2.2991 |
| Topological Polar Surface Area | 426.52 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 1201.7448 |
| Heavy Atoms | 84 |
| Complexity | 2106.9246 |
Chemical Identifiers
| CAS Number | 189759-06-6 |
|---|---|
| SMILES | CC1CCC(C(C(CC(C(C(CC=C(C(C(C(=O)OC(C(C=CC=CC(C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)O)C)O)C)C(C)C/C(=C/CCCCCN=C(N)N)/C)C)O)C)O)C)O)O)C)O |
Product Overview
Malolactomycin D (CAS 189759-06-6), with molecular formula C61H107N3O20 and molecular weight 1201.74 g/mol. IUPAC: 3-[[17-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]-3-oxopropanoic acid.
Chemical Property Profile of Malolactomycin D
Property Insights of Malolactomycin D
The XLogP value of 2.2991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malolactomycin D. The TPSA of 426.52 Ų indicates high polarity, suggesting Malolactomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malolactomycin D has 16 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malolactomycin D?
The CAS number of Malolactomycin D is 189759-06-6.
What is the molecular formula of Malolactomycin D?
The molecular formula of Malolactomycin D is C61H107N3O20.
What is the molecular weight of Malolactomycin D?
The molecular weight of Malolactomycin D is 1201.74 g/mol.
Where can I buy Malolactomycin D?
You can request a quote for Malolactomycin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malolactomycin D?
Yes, KEHONG BIO provides custom synthesis services for Malolactomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.