Structure Database (LMSD)

Common Name
Phytyl phosphate
Systematic Name
3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol phosphate
Synonyms
LM ID
LMPR0104010007
Status
Active
Exact Mass
Calculate m/z
376.274248
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)
YRXRHZOKDFCXIB-PYDDKJGSSA-N
InChi (Click to copy)
InChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OP(O)(O)=O

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 406.91
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.11
Molar Refractivity 106.69

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Created at
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Updated at
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