Destruxin A, 1-(trans-3-methyl-L-proline)-
TL;DR: Destruxin A, 1-(trans-3-methyl-L-proline)- (CAS 55466-29-0) is a chemical compound with molecular formula C30H49N5O7 and molecular weight 591.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[(2S,3S)-1-[[(5R)-5-formyl-7-hydroxy-4,4-dimethyl-1-[[(2S)-2-(methylamino)propanoyl]amino]-3,6-dioxodec-9-en-5-yl]-methylamino]-3-methyl-1-oxopent-4-en-2-yl]-3-methylpyrrolidine-2-carboxamide
Also Known As: Roseotoxin B, Destruxin A, 1-(trans-3-methyl-L-proline)-, (2S,3S)-N-((2S,3S)-1-(((5R)-5-formyl-7-hydroxy-4,4-dimethyl-1-(((2S)-2-(methylamino)propanoyl)amino)-3,6-dioxodec-9-en-5-yl)-methylamino)-3-methyl-1-oxopent-4-en-2-yl)-3-methylpyrrolidine-2-carboxamide, (2S,3S)-N-[(2S,3S)-1-[[(5R)-5-formyl-7-hydroxy-4,4-dimethyl-1-[[(2S)-2-(methylamino)propanoyl]amino]-3,6-dioxodec-9-en-5-yl]-methylamino]-3-methyl-1-oxopent-4-en-2-yl]-3-methylpyrrolidine-2-carboxamide, (2S,3S)-N-[(2S,3S)-1-{[(5R)-5-Formyl-7-hydroxy-1-{[(2S)-1-hydroxy-2-(methylamino)propylidene]amino}-4,4-dimethyl-3,6-dioxodec-9-en-5-yl](methyl)amino}-3-methyl-1-oxopent-4-en-2-yl]-3-methylpyrrolidine-2-carboximidic acid
| Molecular Formula | C30H49N5O7 |
|---|---|
| Molecular Weight | 591.36 g/mol |
| LogP | -0.097 |
| Topological Polar Surface Area | 174.01 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 591.3632 |
| Heavy Atoms | 42 |
| Complexity | 1045.0652 |
Chemical Identifiers
| CAS Number | 55466-29-0 |
|---|---|
| SMILES | C[C@H]1CCN[C@@H]1C(=O)N[C@@H]([C@@H](C)C=C)C(=O)N(C)[C@](C=O)(C(=O)C(CC=C)O)C(C)(C)C(=O)CCNC(=O)[C@H](C)NC |
Product Overview
Destruxin A, 1-(trans-3-methyl-L-proline)- (CAS 55466-29-0), with molecular formula C30H49N5O7 and molecular weight 591.36 g/mol. IUPAC: (2S,3S)-N-[(2S,3S)-1-[[(5R)-5-formyl-7-hydroxy-4,4-dimethyl-1-[[(2S)-2-(methylamino)propanoyl]amino]-3,6-dioxodec-9-en-5-yl]-methylamino]-3-methyl-1-oxopent-4-en-2-yl]-3-methylpyrrolidine-2-carboxamide.
Chemical Property Profile of Destruxin A, 1-(trans-3-methyl-L-proline)-
Property Insights of Destruxin A, 1-(trans-3-methyl-L-proline)-
The XLogP value of -0.097 indicates that Destruxin A, 1-(trans-3-methyl-L-proline)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.01 Ų indicates high polarity, suggesting Destruxin A, 1-(trans-3-methyl-L-proline)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Destruxin A, 1-(trans-3-methyl-L-proline)- has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Destruxin A, 1-(trans-3-methyl-L-proline)-?
The CAS number of Destruxin A, 1-(trans-3-methyl-L-proline)- is 55466-29-0.
What is the molecular formula of Destruxin A, 1-(trans-3-methyl-L-proline)-?
The molecular formula of Destruxin A, 1-(trans-3-methyl-L-proline)- is C30H49N5O7.
What is the molecular weight of Destruxin A, 1-(trans-3-methyl-L-proline)-?
The molecular weight of Destruxin A, 1-(trans-3-methyl-L-proline)- is 591.36 g/mol.
Where can I buy Destruxin A, 1-(trans-3-methyl-L-proline)-?
You can request a quote for Destruxin A, 1-(trans-3-methyl-L-proline)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Destruxin A, 1-(trans-3-methyl-L-proline)-?
Yes, KEHONG BIO provides custom synthesis services for Destruxin A, 1-(trans-3-methyl-L-proline)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.