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Acetyl phosphate

Acetyl phosphate structure

CAS No:
590-54-5
Formula:
C2H5O5P
Chemical Name:
Acetyl phosphate
Synonyms:
Acetic acid,anhydride with phosphoric acid (1:1);Acetic acid,monoanhydride with phosphoric acid;Phosphoric acid,anhydride with AcOH;Phosphoric acid,monoanhydride with acetic acid;Acetic acid,anhydride with H3PO4;Acetyl phosphate;Acetyl phosphate (C2H3O2(HO)2PO);Monoacetyl phosphate
Categories:
Organic Chemistry > Phosphines

Description

ChEBI: An acyl monophosphate in which the acyl group specified is acetyl.

Solid

Acetyl dihydrogen phosphate is an acyl monophosphate in which the acyl group specified is acetyl. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is a conjugate acid of an acetyl phosphate(1-).

Acetyl phosphate Basic Attributes

Molecular Weight：

140.03

Exact Mass：

140.03

UNII：

54979W5TJB

DSSTox ID：

DTXSID40207738

Characteristics

PSA：

83.8

XLogP3：

-1.5

Appearance：

Solid

Density：

1.663 g/cm3

Boiling Point：

309.5ºC at 760 mmHg

Flash Point：

141ºC

Refractive Index：

1.459

Collision Cross Section：

142.7 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|125.44 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]

Drug Information

MeSH Entry Terms：

acetyl phosphate

Computed Properties

Molecular Weight:140.03
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:139.98746025
Monoisotopic Mass:139.98746025
Topological Polar Surface Area:83.8
Heavy Atom Count:8
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes