triethyl phosphate (CHEBI:45927)

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CHEBI:45927 - triethyl phosphate

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ChEBI Name	triethyl phosphate

ChEBI ID	CHEBI:45927

Definition	A trialkyl phosphate that is the triethy ester derivative of phosphoric acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000008217609

Download	Molfile XML SDF

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Marvin 09130722133D

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26 25 0 0 0 0 999 V2000

0.4730 0.2060 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0

1.4240 1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0

0.7090 -0.6920 1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0

0.4860 0.1560 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6950 -0.6400 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0

0.7090 -0.6920 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0

0.4860 0.1560 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0

0.6950 -0.6400 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.0340 0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.9010 -0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.3570 0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.5340 0.5380 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1870 0.9900 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0

0.5250 0.0070 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0050 -1.4740 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7160 -1.0220 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5340 0.5380 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1870 0.9900 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0

0.5250 0.0070 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0

1.7160 -1.0220 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0050 -1.4740 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7130 -0.9650 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7130 -0.9650 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.0180 -0.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.5450 0.7040 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.5450 0.7040 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

1 3 1 0 0 0 0

1 6 1 0 0 0 0

1 9 1 0 0 0 0

3 4 1 0 0 0 0

4 5 1 0 0 0 0

4 12 1 0 0 0 0

4 13 1 0 0 0 0

5 14 1 0 0 0 0

5 15 1 0 0 0 0

5 16 1 0 0 0 0

6 7 1 0 0 0 0

7 8 1 0 0 0 0

7 17 1 0 0 0 0

7 18 1 0 0 0 0

8 19 1 0 0 0 0

8 20 1 0 0 0 0

8 21 1 0 0 0 0

9 10 1 0 0 0 0

10 11 1 0 0 0 0

10 22 1 0 0 0 0

10 23 1 0 0 0 0

11 24 1 0 0 0 0

11 25 1 0 0 0 0

11 26 1 0 0 0 0

M END): 27 ms

reading 26 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

26 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Molfile expand

Wikipedia	License
Benzophenone is a naturally occurring organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. Benzophenone has been found in some fungi, fruits and plants, including grapes. It is a white solid with a low melting point and rose-like odor that is soluble in organic solvents. Benzophenone is the simplest diaromatic ketone. It is a widely used building block in organic chemistry, being the parent diarylketone.
Read full article at Wikipedia

Formula

C6H15O4P

Net Charge

Average Mass

182.15466

Monoisotopic Mass

182.07080

InChI

InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

InChIKey

DQWPFSLDHJDLRL-UHFFFAOYSA-N

SMILES

CCOP(=O)(OCC)OCC

ChEBI Ontology
Outgoing	triethyl phosphate (CHEBI:45927) has functional parent ethanol (CHEBI:16236) triethyl phosphate (CHEBI:45927) is a trialkyl phosphate (CHEBI:37562)

IUPAC Name

triethyl phosphate

Synonyms	Sources
Ethyl phosphate	ChemIDplus
o-Phosphoric acid triethyl ester	NIST Chemistry WebBook
TEP	ChemIDplus
Triethoxyphosphine oxide	ChemIDplus
TRIETHYL PHOSPHATE	PDBeChem
Triethylphosphate	ChemIDplus
Tris(ethyl) phosphate	ChemIDplus

Manual Xrefs	Databases
CPD-3703	MetaCyc
DB03347	DrugBank
TEN	PDBeChem
Triethyl_phosphate	Wikipedia
View more database links

Registry Numbers	Types	Sources
1705772	Reaxys Registry Number	Reaxys
78-40-0	CAS Registry Number	ChemIDplus
78-40-0	CAS Registry Number	NIST Chemistry WebBook

Citation	Type	Source
IND500700835	Agricola citation	Europe PMC

Last Modified

17 March 2014

CHEBI:45927 - triethyl phosphate

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