2-[2-Carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid

Base Information

• Chemical Name: 2-[2-Carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid
• CAS No.: 6917-66-4
• Molecular Formula: C110H202N2O39P2
• DSSTox Substance ID: DTXSID90412693
• Mol file: 6917-66-4.mol

Synonyms:6917-66-4;AC1NRLG2;DTXSID90412693;PD047627

Chemical Property of 2-[2-Carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 22.7
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 39
• Rotatable Bond Count: 98
• Exact Mass: 2238.3393534
• Heavy Atom Count: 153
• Complexity: 3760

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC