Liposidomycin B
TL;DR: Liposidomycin B (CAS 99751-53-8) is a chemical compound with molecular formula C42H67N5O21S and molecular weight 1009.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxy-12-methyltridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Also Known As: Liposidomycin B, Liposidomycins, Liposidomycin A, 2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxy-12-methyltridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid, 2-(((2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl)oxy-((2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl)-6-(3-(4-carboxy-3-methylbutanoyl)oxy-12-methyltridecanoyl)oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
| Molecular Formula | C42H67N5O21S |
|---|---|
| Molecular Weight | 1009.40 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 387.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Exact Mass | 1009.4049 |
| Heavy Atoms | 69 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 99751-53-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)OS(=O)(=O)O)C)OC(=O)CC(C)CC(=O)O |
| InChIKey | LGBOBVYRTQDYBA-ZUGGQKJLSA-N |
Product Overview
Liposidomycin B (CAS 99751-53-8), with molecular formula C42H67N5O21S and molecular weight 1009.40 g/mol. IUPAC: 2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxy-12-methyltridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid.
Chemical Property Profile of Liposidomycin B
Property Insights of Liposidomycin B
The XLogP value of -4.6 indicates that Liposidomycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 387.0 Ų indicates high polarity, suggesting Liposidomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Liposidomycin B has 8 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Liposidomycin B?
The CAS number of Liposidomycin B is 99751-53-8.
What is the molecular formula of Liposidomycin B?
The molecular formula of Liposidomycin B is C42H67N5O21S.
What is the molecular weight of Liposidomycin B?
The molecular weight of Liposidomycin B is 1009.40 g/mol.
Where can I buy Liposidomycin B?
You can request a quote for Liposidomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Liposidomycin B?
Yes, KEHONG BIO provides custom synthesis services for Liposidomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.