farnesyl thiodiphosphate   Click here for help

GtoPdb Ligand ID: 3216

Abbreviated name: FSPP
Synonyms: farnesyl thiopyrophosphate
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 157.14
Molecular weight 396.09
XLogP 2.77
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(=CCOP(=O)(OP(=O)(S)[O-])[O-])CCC=C(CCC=C(C)C)C
Isomeric SMILES CC(=CCOP(=O)(OP(=O)(S)[O-])[O-])CCC=C(CCC=C(C)C)C
InChI InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-20-22(16,17)21-23(18,19)24/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,16,17)(H2,18,19,24)/p-2
InChI Key DRADWUUFBCYMDM-UHFFFAOYSA-L
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
sulfanyl[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphonato)oxy]phosphinate
Synonyms Click here for help
farnesyl thiopyrophosphate
Database Links Click here for help
GtoPdb PubChem SID 135650252
PubChem CID 56947069
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