(2-cis,6-trans)-Farnesyl Diphosphate - CAS 40716-68-5

Catalog:	BB065379
Product Name:	(2-cis,6-trans)-Farnesyl Diphosphate
CAS:	40716-68-5
Synonyms:	2-cis,6-trans-farnesyl diphosphate; (2Z,6E)-farnesyl diphosphate; (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

Technical Data

IUPAC Name:	phosphono [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
Description:	(2-cis,6-trans)-Farnesyl Diphosphate is a reagent used for research purpose in determining structures and stereochemistry of bisabolyl-derived sesquiterpenes.
Molecular Weight:	382.33
Molecular Formula:	C15H28O7P2
Canonical SMILES:	CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InChI:	InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11-
InChI Key:	VWFJDQUYCIWHTN-PVMFERMNSA-N

Complexity:	568
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	382.13102722
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	382.13102722
Rotatable Bond Count:	11
Topological Polar Surface Area:	113Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6