Guanidylfungin B
TL;DR: Guanidylfungin B (CAS 94116-20-8) is a chemical compound with molecular formula C57H101N3O18 and molecular weight 1115.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(10E,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid
Also Known As: Guanidylfungin B, Guanidylfungin A, N-demethyl-, (9alpha,11alpha,13E,15S)-, 3-[[(10E,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid, 3-(((10E,20E)-15-((E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl)-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo(31.3.1)heptatriaconta-10,20-dien-19-yl)oxy)-3-oxopropanoic acid
| Molecular Formula | C57H101N3O18 |
|---|---|
| Molecular Weight | 1115.71 g/mol |
| LogP | 3.0211 |
| Topological Polar Surface Area | 386.06 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 1115.708 |
| Heavy Atoms | 78 |
| Complexity | 1916.6782 |
Chemical Identifiers
| CAS Number | 94116-20-8 |
|---|---|
| SMILES | CC1CC/C=C(/C(C(C(CC(CC(CC2CC(C(C(O2)(CC(C(CCC(C(C(CC(C(/C=C/C(C(C(=O)OC1C(C)C/C(=C/CCCCCN=C(N)N)/C)C)OC(=O)CC(=O)O)C)O)O)C)O)C)O)O)O)O)O)O)O)C)O)\C |
Product Overview
Guanidylfungin B (CAS 94116-20-8), with molecular formula C57H101N3O18 and molecular weight 1115.71 g/mol. IUPAC: 3-[[(10E,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid.
Chemical Property Profile of Guanidylfungin B
Property Insights of Guanidylfungin B
The XLogP value of 3.0211 indicates that Guanidylfungin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 386.06 Ų indicates high polarity, suggesting Guanidylfungin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidylfungin B has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Guanidylfungin B?
The CAS number of Guanidylfungin B is 94116-20-8.
What is the molecular formula of Guanidylfungin B?
The molecular formula of Guanidylfungin B is C57H101N3O18.
What is the molecular weight of Guanidylfungin B?
The molecular weight of Guanidylfungin B is 1115.71 g/mol.
Where can I buy Guanidylfungin B?
You can request a quote for Guanidylfungin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidylfungin B?
Yes, KEHONG BIO provides custom synthesis services for Guanidylfungin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.