殺念菌素
TL;DR: 殺念菌素 (CAS 1403-17-4) is a chemical compound with molecular formula C59H84N2O18 and molecular weight 1108.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
殺念菌素
33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Also Known As: Vanobid, Candicidin A, Candicidin D, FR-008-III, 3-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-29,31,33,35,37-pentahydroxy-18-methyl-21,23,27-trioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid
| Molecular Formula | C59H84N2O18 |
|---|---|
| Molecular Weight | 1108.57 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 356.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 1108.5719 |
| Heavy Atoms | 79 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 1403-17-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2CC3C(C(CC(O3)(CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC(C(C=CC=CC=CC=CC=CC=CC=C2)C)C(C)CC(C)C(CC(=O)C4=CC=C(C=C4)N)O)O)O)O)O)O)C(=O)O)O)N)O |
| InChIKey | YKSVGLFNJPQDJE-ONLHTITHSA-N |
Product Overview
殺念菌素 (CAS 1403-17-4), with molecular formula C59H84N2O18 and molecular weight 1108.57 g/mol. IUPAC: 33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.
Chemical Property Profile of 殺念菌素
Property Insights of 殺念菌素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 殺念菌素. The TPSA of 356.0 Ų indicates high polarity, suggesting 殺念菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 殺念菌素 has 11 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 殺念菌素?
The CAS number of 殺念菌素 is 1403-17-4.
What is the molecular formula of 殺念菌素?
The molecular formula of 殺念菌素 is C59H84N2O18.
What is the molecular weight of 殺念菌素?
The molecular weight of 殺念菌素 is 1108.57 g/mol.
Where can I buy 殺念菌素?
You can request a quote for 殺念菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 殺念菌素?
Yes, KEHONG BIO provides custom synthesis services for 殺念菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.