P-(3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl) trihydrogen (diphosphate)

HCID 706

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Basic information

CAS: 13058-04-3
Standard SMILES: CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
InChIKey: VWFJDQUYCIWHTN-UHFFFAOYSA-N
Molecular formula: C15H28O7P2
Average molar mass: 382.33 g/mol
Monoisotopic mass: 382.13102722

Overview

Farnesyl diphosphate is a farnesyl phosphate and a polyprenyl diphosphate.

Names & identifiers

Preferred name: P-(3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl) trihydrogen (diphosphate)
IUPAC: phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
English name: FARNESYLPYROPHOSPHATE
Molecular formula: C15H28O7P2
Molecular weight: 382.33

Names & synonyms

13058-04-3P-(3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl) trihydrogen (diphosphate)RefChem:10941363,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphatephosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphateDiphosphoric acid, P-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl) esterfarnesyl pyrophosphate (FPP)farnesylpyrophosphoric acidSCHEMBL109441orb1983481DTXSID10864352G70034

Show more names

FPPtrans, trans-farnesyl diphosphateFARNESYL PYROPHOSPHATE AMMONIUM SALTFPP 3NH3FPP 3NH4FARNESYL-PPFARNESYLDIPHOSPHATEFARNESYLPYROPHOSPHATEFARNESYL DIPHOSPHATE-TA(E,E)-farnesyl diphosphate

Q609986923,7,11-Trimethyl-2,6,10-dodecatrien-1-yl trihydrogen diphosphate

Database identifiers

CAS: 13058-04-3
PubChem CID: 706
DTXSID: DTXSID10864352
ChEBI: CHEBI:50277

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 113 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 568

Physicochemical properties

Melting point: 107 °C · >107°C (dec.)
Boiling point: 533.8 · 533.8±60.0 °C(Predicted)
Density: 1.233 · 1.233±0.06 g/cm3(Predicted)
Flash point: 16 °C · 16 °C
storage temp.: -20 °C · -20°C
solubility: Methanol (Slightly, Sonicated), Water (Slightly)
pka: 1.07 · 1.07±0.50(Predicted)
form: methanol ammonia solution
color: White to Brown
Stability: Hygroscopic, Light Sensitive, Temperature Sensitive
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+
InChIKey: VWFJDQUYCIWHTN-YFVJMOTDSA-N
SMILES: C\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
FDA UNII: 79 W6B01D07 · 79W6B01D07
UNSPSC Code: 12352204 · 12352204
NACRES: 83 · NA.83
Symbol(GHS): 2 · GHS02,GHS06,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H301+H311+H331-H315-H319-H370
Precautionary statements: 210 · P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
target organs: Eyes,Central nervous system
Hazard Codes: F,T
Risk Statements: 11 · 11-23/24/25-39/23/24/25
Safety Statements: 7 · 7-16-36/37-45
RIDADR: 1230 · UN 1230 3/PG 2
WGK Germany: 1 · 1
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 1

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk: 1
ridadr: UN 1230 3/PG 2
risk_code: 11-23/24/25-39/23/24/25
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS08
hazard_code: F,T
safety_code: 7-16-36/37-45
Storage Class: 3 - Flammable liquids
target organs: Eyes,Central nervous system
Hazard statements: H225-H301+H311+H331-H315-H319-H370
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 1
Precautionary statements: P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesFarnesyl pyrophosphate ammonium salt has been used: as a prenylation agonist in human osteogenic sarcoma cells in collagen-based cell invasion assays in the prenylation of the hepatocyte growth factor (HGF) in human umbilical vein endothelial cells (HUVECs) as a substrate in prenyltransferases assay in diatom Haslea ostrearia

General DescriptionFarnesyl pyrophosphate is a 15-carbon isoprenoid synthesized from geranyl pyrophosphate (GPP) by the action of enzyme farnesyl pyrophosphate synthase (FPPS).

Suppliers28 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 2-trans,6-trans-farnesyl diphosphate is the trans,trans-stereoisomer of farnesyl diphosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 2-trans,6-trans-farnesyl diphosphate(3-).

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