Unk-Val(3,4-dehydro)-Ser-aThr-Gly-OH

Base Information

• Chemical Name: Unk-Val(3,4-dehydro)-Ser-aThr-Gly-OH
• CAS No.: 80458-08-8
• Molecular Formula: C33H59N5O9
• Molecular Weight: 669.8497
• DSSTox Substance ID: DTXSID901001252

Synonyms:80458-08-8;DTXSID901001252;N-[1,4,7,15-Tetrahydroxy-2-(1-hydroxyethyl)-5-(hydroxymethyl)-12,14-dimethyl-11-(2-methylprop-2-en-1-yl)-13-oxo-8-(prop-1-en-2-yl)-3,6,9,12-tetraazatricosa-3,6-dien-1-ylidene]glycine

Chemical Property of Unk-Val(3,4-dehydro)-Ser-aThr-Gly-OH

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 956.9°Cat760mmHg
• Flash Point: 532.5°C
• PSA: 228.10000
• Density: 1.147g/cm³
• LogP: 3.51680
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 25
• Exact Mass: 669.43127848
• Heavy Atom Count: 47
• Complexity: 1050

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C(C)C(=O)N(C)C(CC(=C)C)CNC(C(=C)C)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)O)O
• Isomeric SMILES: CCCCCCCCC(C(C)C(=O)N(C)[C@@H](CC(=C)C)CN[C@@H](C(=C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)O)O

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