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Geranyl diphosphate

Geranyl diphosphate structure

CAS No:
763-10-0
Formula:
C10H20O7P2
Chemical Name:
Geranyl diphosphate
Synonyms:
Diphosphoric acid,P-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-;2,6-Octadien-1-ol,3,7-dimethyl-,trihydrogen pyrophosphate,(E)-;Geranyl pyrophosphate;Diphosphoric acid,mono(3,7-dimethyl-2,6-octadienyl) ester,(E)-;Diphosphoric acid,mono[(2E)-3,7-dimethyl-2,6-octadienyl] ester;P-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]diphosphoric acid;Pyrophosphoric acid,(E)-3,7-dimethyl-2,6-octadienyl ester;Geranyl diphosphate;trans-geranyl-PP;trans-Geranyl pyrophosphate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Geranyl diphosphate is the diphosphate of the polyprenol compound geraniol. It has a role as an Escherichia coli metabolite and a mouse metabolite. It derives from a geraniol. It is a conjugate acid of a geranyl diphosphate(3-).

Geranyl diphosphate Basic Attributes

Molecular Weight：

314.20900

Exact Mass：

314.21

Characteristics

PSA：

132.91000

XLogP3：

2.90540

Appearance：

Solid

Density：

1.342g/cm3

Boiling Point：

484.2ºC at 760 mmHg

Flash Point：

20ºC

Refractive Index：

1.51

Storage Conditions：

-20ºC

Collision Cross Section：

161.5 Å² [M-H2O-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|167.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|173.8 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|173.8 Å² [M-2H+Na]-

Safety Information

Transport codes：

UN 1230 3/PG 2

wgk germany：

hazard class code：

11-39/23/24/25-23/24/25

safety instructions：

7-16-23-45-36/37

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

Geranyl diphosphate Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

Computed Properties

Molecular Weight:314.21
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:314.06842697
Monoisotopic Mass:314.06842697
Topological Polar Surface Area:113
Heavy Atom Count:19
Complexity:431
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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