Kerriamycin C
TL;DR: Kerriamycin C (CAS 98495-38-6) is a chemical compound with molecular formula C37H46O15 and molecular weight 730.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: Kerriamycin C, Antibiotic A 32Y3, HY-N14259, (3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, (3R)-9-[3-O-[(2S)-5alpha-[(2,6-Dideoxy-beta-D-arabino-hexopyranosyl)oxy]tetrahydro-6alpha-methyl-2H-pyran-2beta-yl]-2,6-dideoxy-beta-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3alpha,4aalpha,8,12balpha-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
| Molecular Formula | C37H46O15 |
|---|---|
| Molecular Weight | 730.28 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 730.2837 |
| Heavy Atoms | 52 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 98495-38-6 |
|---|---|
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O)O)O)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O |
| InChIKey | YBDWXIVNZNQORW-XIWRCPAJSA-N |
Product Overview
Kerriamycin C (CAS 98495-38-6), with molecular formula C37H46O15 and molecular weight 730.28 g/mol. IUPAC: (3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Kerriamycin C
Property Insights of Kerriamycin C
The XLogP value of -0.4 indicates that Kerriamycin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting Kerriamycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kerriamycin C has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kerriamycin C?
The CAS number of Kerriamycin C is 98495-38-6.
What is the molecular formula of Kerriamycin C?
The molecular formula of Kerriamycin C is C37H46O15.
What is the molecular weight of Kerriamycin C?
The molecular weight of Kerriamycin C is 730.28 g/mol.
Where can I buy Kerriamycin C?
You can request a quote for Kerriamycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kerriamycin C?
Yes, KEHONG BIO provides custom synthesis services for Kerriamycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.