(6S)-6-[(1R,2E)-1-Hydroxy-2-hexadecenyl]-3-methoxy-2,4-dioxa-7-aza-3-phosphaoctan-8-oic Acid 3-Oxide-1,1-dimethylethyl Ester

Base Information

• Chemical Name: (6S)-6-[(1R,2E)-1-Hydroxy-2-hexadecenyl]-3-methoxy-2,4-dioxa-7-aza-3-phosphaoctan-8-oic Acid 3-Oxide-1,1-dimethylethyl Ester
• CAS No.: 312933-38-3
• Molecular Formula: C₂₅H₅₀NO₇P
• Molecular Weight: 507.648
• DSSTox Substance ID: DTXSID501102626
• Nikkaji Number: J1.846.112I
• Mol file: 312933-38-3.mol

Synonyms:312933-38-3;(6S)-6-[(1R,2E)-1-Hydroxy-2-hexadecenyl]-3-methoxy-2,4-dioxa-7-aza-3-phosphaoctan-8-oic Acid 3-Oxide-1,1-dimethylethyl Ester;SCHEMBL15948851;DTXSID501102626;5,7-Dioxa-2-aza-6-phosphaoctanoic acid, 3-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-6-methoxy-, 1,1-dimethylethyl ester, 6-oxide, (3S)-

Chemical Property of (6S)-6-[(1R,2E)-1-Hydroxy-2-hexadecenyl]-3-methoxy-2,4-dioxa-7-aza-3-phosphaoctan-8-oic Acid 3-Oxide-1,1-dimethylethyl Ester

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 22
• Exact Mass: 507.33248993
• Heavy Atom Count: 34
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(OC)OC)NC(=O)OC(C)(C)C)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC)OC)NC(=O)OC(C)(C)C)O