beta-Pyrromycin RDC
TL;DR: beta-Pyrromycin RDC (CAS 77517-28-3) is a chemical compound with molecular formula C40H51NO15 and molecular weight 785.33 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-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: beta-Pyrromycin RDC, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-ethyl-1,4,6,9,10-pentahydroxy-7-((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-hexopyranosyl)oxy)-, (7S-(7-alpha,9-alpha,10-beta))-, (1S,3R,4R)-3-Ethyl-3,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside, (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-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C40H51NO15 |
|---|---|
| Molecular Weight | 785.33 g/mol |
| LogP | 2.6401 |
| Topological Polar Surface Area | 231.21 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 785.32587 |
| Heavy Atoms | 56 |
| Complexity | 1871.923 |
Chemical Identifiers
| CAS Number | 77517-28-3 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1O)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 |
Product Overview
beta-Pyrromycin RDC (CAS 77517-28-3), with molecular formula C40H51NO15 and molecular weight 785.33 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-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of beta-Pyrromycin RDC
Property Insights of beta-Pyrromycin RDC
The XLogP value of 2.6401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Pyrromycin RDC. The TPSA of 231.21 Ų indicates high polarity, suggesting beta-Pyrromycin RDC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Pyrromycin RDC has 6 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 beta-Pyrromycin RDC?
The CAS number of beta-Pyrromycin RDC is 77517-28-3.
What is the molecular formula of beta-Pyrromycin RDC?
The molecular formula of beta-Pyrromycin RDC is C40H51NO15.
What is the molecular weight of beta-Pyrromycin RDC?
The molecular weight of beta-Pyrromycin RDC is 785.33 g/mol.
Where can I buy beta-Pyrromycin RDC?
You can request a quote for beta-Pyrromycin RDC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Pyrromycin RDC?
Yes, KEHONG BIO provides custom synthesis services for beta-Pyrromycin RDC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.