beta-Isorhodomycinone
TL;DR: beta-Isorhodomycinone (CAS 80930-57-0) is a chemical compound with molecular formula C40H51NO16 and molecular weight 801.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: beta-Isorhodomycinone, beta-Isorhodomycinone RDC, Cg 10, (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,4,6,7,8,11-hexahydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexapyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-
| Molecular Formula | C40H51NO16 |
|---|---|
| Molecular Weight | 801.32 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 801.3208 |
| Heavy Atoms | 57 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 80930-57-0 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O |
| InChIKey | CHGJHKQZZYYATJ-MGUWIHFFSA-N |
Product Overview
beta-Isorhodomycinone (CAS 80930-57-0), with molecular formula C40H51NO16 and molecular weight 801.32 g/mol. IUPAC: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of beta-Isorhodomycinone
Property Insights of beta-Isorhodomycinone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Isorhodomycinone. The TPSA of 251.0 Ų indicates high polarity, suggesting beta-Isorhodomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Isorhodomycinone has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Isorhodomycinone?
The CAS number of beta-Isorhodomycinone is 80930-57-0.
What is the molecular formula of beta-Isorhodomycinone?
The molecular formula of beta-Isorhodomycinone is C40H51NO16.
What is the molecular weight of beta-Isorhodomycinone?
The molecular weight of beta-Isorhodomycinone is 801.32 g/mol.
Where can I buy beta-Isorhodomycinone?
You can request a quote for beta-Isorhodomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Isorhodomycinone?
Yes, KEHONG BIO provides custom synthesis services for beta-Isorhodomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.