Pptoo

Base Information

• Chemical Name: Pptoo
• CAS No.: 136429-81-7
• Molecular Formula: C43H68 N12 O11 S2
• Molecular Weight: 993.2
• Mol file: 136429-81-7.mol

Synonyms:oxytocin, Pen(1)-Phe(2)-Thr(4)-Orn(8)-;oxytocin, penicillamine(1)-phenylalanyl(2)-threonyl(4)-ornithine(8)-;Pen(1)-Phe(2)-Thr(4)-Orn(8)-oxytocin;PPTOO

Chemical Property of Pptoo

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1454.1°Cat760mmHg
• PKA: 12.80±0.70(Predicted)
• Flash Point: 833.2°C
• PSA: 459.47000
• Density: 1.245g/cm³
• LogP: 2.97050
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 16
• Exact Mass: 992.45719338
• Heavy Atom Count: 68
• Complexity: 1820

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC(C(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)N)(C)C)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O
• Isomeric SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC([C@@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)N)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O