Structure Database (LMSD)
Common Name
Phytyl diphosphate
Systematic Name
3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol diphosphate
Synonyms
3D model of Phytyl diphosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
ITPLBNCCPZSWEU-PYDDKJGSSA-N
InChi (Click to copy)
InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(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)(OP(O)(O)=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
453.11
Topological Polar Surface Area
113.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
7.39
Molar Refractivity
117.46
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Created at
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Updated at
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