Oxytocin, phe(2)-orn(8)-

Base Information

• Chemical Name: Oxytocin, phe(2)-orn(8)-
• CAS No.: 2480-41-3
• Deprecated CAS: 11022-32-5,30635-31-5,99564-33-7
• Molecular Formula: C42H65 N13 O11 S2
• Molecular Weight: 992.18
• DSSTox Substance ID: DTXSID20179500
• Wikidata: Q83050044
• Mol file: 2480-41-3.mol

Synonyms:2-Phe-8-Orn-oxytocin;oxytocin, Phe(2)-Orn(8)-;oxytocin, phenylalanyl(2)-ornithine(8)-;PI ornipressin;POOT

Chemical Property of Oxytocin, phe(2)-orn(8)-

Chemical Property:

• Refractive Index: 1.597
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 455.92000
• Density: 1.337g/cm³
• LogP: 1.24380
• Storage Temp.: -15°C
• XLogP3: -4
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 30
• Exact Mass: 991.43679229
• Heavy Atom Count: 68
• Complexity: 1820

Purity/Quality:

99%, ^*data from raw suppliers

[PHE2ILE3ORN8]VASOPRESSIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C=S)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C=S)N

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