罗他霉素
TL;DR: 罗他霉素 (CAS 74014-51-0) is a chemical compound with molecular formula C42H69NO15 and molecular weight 827.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗他霉素
[6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate
Also Known As: rokitamycin, Ricamycin, [6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate
| Molecular Formula | C42H69NO15 |
|---|---|
| Molecular Weight | 827.47 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 827.46674 |
| Heavy Atoms | 58 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 74014-51-0 |
|---|---|
| SMILES | CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C |
| InChIKey | VYWWNRMSAPEJLS-UHFFFAOYSA-N |
Product Overview
罗他霉素 (CAS 74014-51-0), with molecular formula C42H69NO15 and molecular weight 827.47 g/mol. IUPAC: [6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate.
Chemical Property Profile of 罗他霉素
Property Insights of 罗他霉素
The XLogP value of 3.0 indicates that 罗他霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting 罗他霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 罗他霉素 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 罗他霉素?
The CAS number of 罗他霉素 is 74014-51-0.
What is the molecular formula of 罗他霉素?
The molecular formula of 罗他霉素 is C42H69NO15.
What is the molecular weight of 罗他霉素?
The molecular weight of 罗他霉素 is 827.47 g/mol.
Where can I buy 罗他霉素?
You can request a quote for 罗他霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗他霉素?
Yes, KEHONG BIO provides custom synthesis services for 罗他霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.