2-[[4-[2-[2-[3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid

Base Information

• Chemical Name: 2-[[4-[2-[2-[3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid
• CAS No.: 78113-36-7
• Molecular Formula: C43H78 N6 O13
• Molecular Weight: 887.11
• European Community (EC) Number: 636-074-1
• DSSTox Substance ID: DTXSID60868466
• NCI Thesaurus Code: C152247
• Mol file: 78113-36-7.mol

Synonyms:MDP-Lys(L18);muroctasin;N(alpha)-(N-acetylmuramyl-alanyl-isoglutaminyl)-N(epsilon)stearoyllysine;romurtide;romurutide

Chemical Property of 2-[[4-[2-[2-[3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 176-178°
• Boiling Point: 1198.5°C at 760 mmHg
• PKA: 5.70(at 25℃)
• Flash Point: 678.6°C
• PSA: 305.04000
• Density: 1.21g/cm³
• LogP: 4.36240
• Storage Temp.: −20°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 35
• Exact Mass: 886.56268656
• Heavy Atom Count: 62
• Complexity: 1360

Purity/Quality:

98%Min ^*data from raw suppliers

Ac-muramyl-Ala-D-Glu(Lys(stearoyl)-OH)-NH2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C
• Description: Romurtide is a muramyl dipeptide which augments the production of G-CSF. The compound is indicated as an immunomodulator for the treatment of leukopenia caused by anticancer chemotherapy/radiotherapy and also thrombopenia.