[Thr4,Gly7]OT

Base Information

• Chemical Name: [Thr4,Gly7]OT
• CAS No.: 60786-59-6
• Molecular Formula: C39H61 N11 O12 S2
• Molecular Weight: 940.1
• Wikidata: Q27088989
• Mol file: 60786-59-6.mol

Synonyms:(Thr(4),Gly(7))OT;4-Thr-7-Gly-oxytocin;oxytocin, Thr(4)-Gly(7)-;oxytocin, threonyl(4)-glycine(7)-;TGOT compound;Thr(4)-Gly(7)-oxytocin;Thr(4)-Gly(7)-oxytocin monoacetate

Chemical Property of [Thr4,Gly7]OT

Chemical Property:

• Boiling Point: 1489.4±65.0 °C(Predicted)
• PKA: 9.90±0.15(Predicted)
• PSA: 436.06000
• Density: 1.332g/cm³
• LogP: 0.54950
• Storage Temp.: −20°C
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 28
• Exact Mass: 939.39425877
• Heavy Atom Count: 64
• Complexity: 1670

Purity/Quality:

98%Min ^*data from raw suppliers

(THR4GLY7)-OXYTOCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C=S)N
• Isomeric 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](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C=S)N