Structure Database (LMSD)
Common Name
Nerolidyl diphosphate
Systematic Name
Nerolidyl pyrophosphate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nerolidyl 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)
SDXCRASCLFBFND-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/b14-11+
SMILES (Click to copy)
C(=C)C(OP(=O)(O)OP(O)(=O)O)(C)CC/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
361.33
Topological Polar Surface Area
113.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
5.43
Molar Refractivity
94.40
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Created at
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Updated at
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