Microcystin YR
TL;DR: Microcystin YR (CAS 101064-52-2) is a chemical compound with molecular formula C52H72N10O13 and molecular weight 1044.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Also Known As: Microcystin YR, Microcystin-YR, Cyanoginosin YR, Cyanoginosin-YR, Microcystin LR
| Molecular Formula | C52H72N10O13 |
|---|---|
| Molecular Weight | 1044.53 g/mol |
| LogP | 0.5206 |
| Topological Polar Surface Area | 363.37 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1044.5281 |
| Heavy Atoms | 75 |
| Complexity | 2460.0845 |
Chemical Identifiers
| CAS Number | 101064-52-2 |
|---|---|
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C |
Product Overview
Microcystin YR (CAS 101064-52-2), with molecular formula C52H72N10O13 and molecular weight 1044.53 g/mol. IUPAC: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid.
Chemical Property Profile of Microcystin YR
Property Insights of Microcystin YR
The XLogP value of 0.5206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Microcystin YR. The TPSA of 363.37 Ų indicates high polarity, suggesting Microcystin YR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Microcystin YR has 11 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Microcystin YR?
The CAS number of Microcystin YR is 101064-52-2.
What is the molecular formula of Microcystin YR?
The molecular formula of Microcystin YR is C52H72N10O13.
What is the molecular weight of Microcystin YR?
The molecular weight of Microcystin YR is 1044.53 g/mol.
Where can I buy Microcystin YR?
You can request a quote for Microcystin YR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microcystin YR?
Yes, KEHONG BIO provides custom synthesis services for Microcystin YR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.