Grincamycin
TL;DR: Grincamycin (CAS 113395-84-9) is a chemical compound with molecular formula C49H62O18 and molecular weight 938.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2S,3S,4R,5S)-3,4-dihydroxy-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxan-2-yl]-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: Grincamycin, 42092-EP2311808A1, 42092-EP2311829A1, 9-[(2S,3S,4R,5S)-3,4-dihydroxy-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxan-2-yl]-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 9-(2,6-Dideoxy-4-O-((2S-(2alpha,5beta(2S*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-3-((tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)oxy)benz(a)anthracene-1,7,12(2H)-trione (3R-(3alpha(2S*,5S*(2R*,6S*),6S*),4aalpha,12aalpha))-
| Molecular Formula | C49H62O18 |
|---|---|
| Molecular Weight | 938.39 g/mol |
| LogP | 3.0869 |
| Topological Polar Surface Area | 260.34 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 938.3936 |
| Heavy Atoms | 67 |
| Complexity | 2255.8586 |
Chemical Identifiers
| CAS Number | 113395-84-9 |
|---|---|
| SMILES | CC1[C@H]([C@H]([C@@H]([C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)OC6CCC(C(O6)C)OC7CCC(=O)C(O7)C)O)O)O)O)O)C8CCC(C(O8)C)OC9CCC(=O)C(O9)C |
Product Overview
Grincamycin (CAS 113395-84-9), with molecular formula C49H62O18 and molecular weight 938.39 g/mol. IUPAC: 9-[(2S,3S,4R,5S)-3,4-dihydroxy-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxan-2-yl]-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Grincamycin
Property Insights of Grincamycin
The XLogP value of 3.0869 indicates that Grincamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 260.34 Ų indicates high polarity, suggesting Grincamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Grincamycin has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grincamycin?
The CAS number of Grincamycin is 113395-84-9.
What is the molecular formula of Grincamycin?
The molecular formula of Grincamycin is C49H62O18.
What is the molecular weight of Grincamycin?
The molecular weight of Grincamycin is 938.39 g/mol.
Where can I buy Grincamycin?
You can request a quote for Grincamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grincamycin?
Yes, KEHONG BIO provides custom synthesis services for Grincamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.