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C15AlkOPP

CAT: 0931-T30677-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30677-01Size:100 mg
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CAS Number
946615-44-7
Target
Others
Related Pathways
Others
Bioactivity
C15AlkOPP is an FPP analogue, bearing an alkyne group to allow for post-prenylation protein labeling.
Smiles
C(/C=C(/CC/C=C(/CC/C=C(/COCC#C)\C)\C)\C)OP(OP(=O)(O)O)(=O)O
Molecular Formula
C18H30O8P2
Molecular Weight
436.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C15AlkOPP
CAS Number946615-44-7
PubChem CID154701704
IUPAC Namephosphono [(2E,6E,10E)-3,7,11-trimethyl-12-prop-2-ynoxydodeca-2,6,10-trienyl] hydrogen phosphate
Molecular FormulaC18H30O8P2
Molecular Weight436.4
XLogP2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity708
SMILES
C/C(=C\CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/CC/C=C(\C)/COCC#C
InChI
InChI=1S/C18H30O8P2/c1-5-13-24-15-18(4)11-7-9-16(2)8-6-10-17(3)12-14-25-28(22,23)26-27(19,20)21/h1,8,11-12H,6-7,9-10,13-15H2,2-4H3,(H,22,23)(H2,19,20,21)/b16-8+,17-12+,18-11+
InChIKey
PDSGHAXDBBDXFN-SZPHWZFISA-N
Chemical Structure
2D Structure
2D structure of C15AlkOPP
CAS: 946615-44-7
CID: 154701704
Formula: C18H30O8P2
MW: 436.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass436.14159191
Monoisotopic Mass436.14159191
Topological Polar Surface Area123 Ų
Heavy Atom Count28
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19195250-01C15AlkOPP
BUP01205-01C15AlkOPP t-BA salt
MBS5802416C15AlkOPP Tetrabutylamine salt (1:2)
MBS5802415C15AlkOPP Tetrabutylamine salt (946615-44-7 Free base)

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