Structure Database (LMSD)

Common Name
Phytyl 2-O-methyl-dimethylarsinoylribose
Systematic Name
(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl-2-methoxy-5-deoxy-5-(dimethylarsinyl)-β-D-ribofuranoside
Synonyms
  • ((3-hydroxy-2-methoxy-1-((3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy)tetrahydro-furan-4-yl)methyl)dimethylarsine oxide
LM ID
LMPR0104010040
Status
Active
Exact Mass
Calculate m/z
546.326546
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DERBZIOJEXWVSK-HGEPQFIESA-N
InChi (Click to copy)
InChI=1S/C28H55AsO5/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)18-19-33-28-27(32-8)26(30)25(34-28)20-29(6,7)31/h18,21-23,25-28,30H,9-17,19-20H2,1-8H3/b24-18+/t22?,23?,25-,26-,27-,28-/m1/s1
SMILES (Click to copy)
CC(CCCC(CCCC(CCC/C(/C)=C/CO[C@H]1[C@H](OC)[C@H](O)[C@@H](C[As](=O)(C)C)O1)C)C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dunaliella tertiolecta (#3047)
Chlorophyceae (#3166)
A 2-O-Methylriboside Unknown Outside the RNA World Contains Arsenic.,
Angew Chem Int Ed Engl, 2017
Pubmed ID: 28763144

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 1
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 543.83
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 8.56
Molar Refractivity 145.41

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Created at
7th Jul 2020
Updated at
8th Jul 2020