Basic information
- CAS
763-10-0- Standard SMILES
CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O- InChIKey
GVVPGTZRZFNKDS-JXMROGBWSA-N- Molecular formula
- C10H20O7P2
- Average molar mass
- 314.21 g/mol
- Monoisotopic mass
- 314.06842697
Overview
Geranyl diphosphate is the diphosphate of the polyprenol compound geraniol. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a geraniol. It is a conjugate acid of a geranyl diphosphate(3-).
Names & identifiers
- Preferred name
- Geranyl Diphosphate
- IUPAC
- [(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
- English name
- GERANYL PYROPHOSPHATE AMMONIUM 200
- Molecular formula
- C10H20O7P2
- Molecular weight
- 314.21
Names & synonyms
Geranyl diphosphategeranyl pyrophosphate763-10-07X7DBM66JG[(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphateCHEBI:17211DTXSID801315430((2E)-3,7-dimethylocta-2,6-dienyl) phosphono hydrogen phosphateRefChem:639864DTXCID40909144bis(2E)-3,7-dimethylocta-2,6-dien-1-yl ((bis((((2E)-3,7-dimethylocta-2,6-dien-1-yl)oxy))phosphoryl)oxy)phosphonategeranyl-PP
Show more names
NEROLPYROPHOSPHATEGVVPGTZRZFNKDS-JXMROGBWSA-NGERANYL PYROPHOSPHATE AMMONIUM 200geranyl pyrophosphate ammonium*200 ug/vialtrans-3,7-dimethyl-2,6-octadienyl pyrophosphatetrans-3,7-Dimethyl-2,6-octadienyl pyrophosphate, GPP(2E)-3,7-Dimethyl-2,6-octadiene-1-ol diphosphoric acidDiphosphoric acid,P-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-
trans-Geranyl pyrophosphatetrans-geranyl-PPgeranyl-diphosphate(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphateGPPgeranyl-pyrophosphate(E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphatePyrophosphoric acid, (E)-3,7-dimethyl-2,6-octadienyl ester
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physical DescriptionSolid
Collision Cross Section
161.5 Ų [M-H2O-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
167.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
173.8 Ų [M-2H+Na]-
Physicochemical properties
- Boiling point
- 484.2 · 484.2±55.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- Flash point
- 20 °C · 20 °C
- storage temp.
- -20 °C · -20°C
- form
- liquid
- pka
- 1.05 · 1.05±0.50(Predicted)
- InChI
- 1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1230 3/PG 2
- risk_code
- 11-39/23/24/25-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 7-16-23-45-36/37
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes,Central nervous system
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysAlendronate Action Pathway
Applications
UsesGeranyl diphosphate is a key intermediate in the isoprenoid biosynthesis pathway (IBP). HY-114295 plays key roles in cellular metabolism and is responsible for the production of both sterol and non-sterol isoprenoids[1][2].
Upstream & downstream products
Downstream products
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [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]
安庆融创生物科技有限公司15001988657 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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