Ota-vasotocin
TL;DR: Ota-vasotocin (CAS 114056-49-4) is a chemical compound with molecular formula C54H79N11O13S2 and molecular weight 1153.53 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanediamide
Also Known As: Ota-vasotocin, OVTA, SID:134224581, (d(CH2)51,Tyr(Me)2,Thr4,Orn8,Tyr-NH29)-Vasotocin, d(CH2)5-Tyr(Me)(2)-thr(4)-orn(8)-tyr(9)-NH2-vasotocin
Technical Specifications
| Molecular Formula | C54H79N11O13S2 |
| Molecular Weight | 1153.53 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 419.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Exact Mass | 1153.53 Da |
| Heavy Atoms | 80 |
| Complexity | 2140.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CC4(CCCCC4)S |
| InChIKey | XHDMXBLPNDFGOB-YKVWRKJBSA-N |
Chemical Property Profile of Ota-vasotocin
Property Insights of Ota-vasotocin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ota-vasotocin. The TPSA of 419.0 Ų indicates high polarity, suggesting Ota-vasotocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ota-vasotocin has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ota-vasotocin?
The CAS number of Ota-vasotocin is 114056-49-4.
What is the molecular formula of Ota-vasotocin?
The molecular formula of Ota-vasotocin is C54H79N11O13S2.
What is the molecular weight of Ota-vasotocin?
The molecular weight of Ota-vasotocin is 1153.53 g/mol.
Where can I buy Ota-vasotocin?
You can request a quote for Ota-vasotocin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ota-vasotocin?
Yes, CoreyChem provides custom synthesis services for Ota-vasotocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.