Structure Database (LMSD)
Common Name
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Systematic Name
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Synonyms
- (2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate
- (E)-4-Hydroxy-3-methylbut-2-enyl diphosphate
- 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
No other lipid differing only in stereochemistry/bond geometry found
3D model of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen 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
String Representations
InChiKey (Click to copy)
MDSIZRKJVDMQOQ-GORDUTHDSA-N
InChi (Click to copy)
InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
SMILES (Click to copy)
C(O)/C(/C)=C/COP(OP(O)(O)=O)(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
202.40
Topological Polar Surface Area
133.52
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
8
logP
1.23
Molar Refractivity
50.32
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Created at
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Updated at
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