Urdamycin H
TL;DR: Urdamycin H (CAS 126121-78-6) is a chemical compound with molecular formula C50H60O18 and molecular weight 948.378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6R,8R)-15-[(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]-6,8,14-trihydroxy-3-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-18-(4-hydroxyphenyl)-6-methyl-19-oxapentacyclo[11.6.1.02,11.03,8.017,20]icosa-1(20),2(11),9,13,15,17-hexaene-4,12-dione
Also Known As: Urdamycin H, (3S,6R,8R)-15-[(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]-6,8,14-trihydroxy-3-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-18-(4-hydroxyphenyl)-6-methyl-19-oxapentacyclo[11.6.1.02,11.03,8.017,20]icosa-1(20),2(11),9,13,15,17-hexaene-4,12-dione, 5H-Benz(7,8)anthra(9,1-b,c)furan-5,12(9H)-dione, 4-(2,6-dideoxy-3-O-((2S-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-8a,10,11,12a-tetrahydro-6,8a,10-trihydroxy-2-(4-hydroxyphenyl)-10-methyl-12a-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (8aR-(8aalpha,10alpha,12aalpha(2S*,5S*,6S*)))-
Technical Specifications
| Molecular Formula | C50H60O18 |
| Molecular Weight | 948.378 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 274.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 948.378 Da |
| Heavy Atoms | 68 |
| Complexity | 1960.0 |
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@]23C(=O)C[C@](C[C@]2(C=CC4=C3C5=C6C(=C(O5)C7=CC=C(C=C7)O)C=C(C(=C6C4=O)O)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9CC[C@@H]([C@@H](O9)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O)O)(C)O)O |
| InChIKey | NRRLTLDCIOYASW-MIVDLZGUSA-N |
Chemical Property Profile of Urdamycin H
Property Insights of Urdamycin H
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urdamycin H. The TPSA of 274.0 Ų indicates high polarity, suggesting Urdamycin H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urdamycin H has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Urdamycin H?
The CAS number of Urdamycin H is 126121-78-6.
What is the molecular formula of Urdamycin H?
The molecular formula of Urdamycin H is C50H60O18.
What is the molecular weight of Urdamycin H?
The molecular weight of Urdamycin H is 948.378 g/mol.
Where can I buy Urdamycin H?
You can request a quote for Urdamycin H directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urdamycin H?
Yes, CoreyChem provides custom synthesis services for Urdamycin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.