Ustiloxin B
TL;DR: Ustiloxin B (CAS 151841-41-7) is a chemical compound with molecular formula C26H39N5O12S and molecular weight 645.23157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S)-2-amino-5-[[(3R,4S,7S,10S,11R)-4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
Also Known As: Ustiloxin B, Glycine, (betaR)-2-((R)-((2S,4S)-4-amino-4-carboxy-2-hydroxybutyl)sulfinyl)-beta,5-dihydroxy-N-methyl-L-tyrosyl-L-alanyl-3-hydroxy-L-isoleucyl-, cyclic (15-3)-ether, Glycine, 2-((4-amino-4-carboxy-2-hydroxybutyl)sulfinyl)-threo-beta,5-dihydroxy-N-methyl-L-tyrosyl-L-alanyl-3-hydroxy-L-isoleucyl-, cyclic (15-3)-ether, (2S-(1(S*),2R*,4R*))-, (2S,4S)-2-amino-5-(((3R,4S,7S,10S,11R)-4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo(10.3.1)hexadeca-1(15),12(16),13-trien-13-yl)sulfinyl)-4-hydroxypentanoic acid, (2S,4S)-2-Amino-5-[[(3R,4S,7S,10S,11R)-4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
Technical Specifications
| Molecular Formula | C26H39N5O12S |
| Molecular Weight | 645.23157 g/mol |
| XLogP | -7.8 |
| Topological Polar Surface Area (TPSA) | 306.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 645.23157 Da |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
| SMILES | CC[C@@]1([C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C2=CC(=C(C=C2S(=O)C[C@H](C[C@@H](C(=O)O)N)O)O)O1)O)NC)C)C(=O)NCC(=O)O)C |
| InChIKey | BISPUFPESHDUKH-CEALTDAMSA-N |
Chemical Property Profile of Ustiloxin B
Property Insights of Ustiloxin B
The XLogP value of -7.8 indicates that Ustiloxin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.0 Ų indicates high polarity, suggesting Ustiloxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ustiloxin B has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ustiloxin B?
The CAS number of Ustiloxin B is 151841-41-7.
What is the molecular formula of Ustiloxin B?
The molecular formula of Ustiloxin B is C26H39N5O12S.
What is the molecular weight of Ustiloxin B?
The molecular weight of Ustiloxin B is 645.23157 g/mol.
Where can I buy Ustiloxin B?
You can request a quote for Ustiloxin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ustiloxin B?
Yes, CoreyChem provides custom synthesis services for Ustiloxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.