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Phosphonoacetic acid

Phosphonoacetic acid structure

CAS No:
4408-78-0
Formula:
C2H5O5P
Chemical Name:
Phosphonoacetic acid
Synonyms:
Acetic acid,2-phosphono-;Acetic acid,phosphono-;2-Phosphonoacetic acid;Phosphonic acid,(carboxymethyl)-;Phosphonoacetic acid;Phosphonacetic acid;Fosfonet;NSC 18205;(Carboxymethyl)phosphonic acid;Fosfonoacetic acid
Categories:
Organic Chemistry > Phosphines

Description

White powder

Solid

Phosphonoacetic acid is a member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. It has a role as an antiviral agent and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a monocarboxylic acid and a member of phosphonic acids. It derives from a phosphonic acid and an acetic acid. It is a conjugate acid of a hydrogen phosphonatoacetate(2-).|Phosphonoacetic Acid is an antiviral agent with activity against herpes simplex viruses and other members of the herpes virus family. Phosphonoacetic acid inhibits viral DNA polymerase and inhibits the synthesis of viral DNA.|A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.

Phosphonoacetic acid Basic Attributes

Molecular Weight：

140.03

Exact Mass：

140.03

BRN：

1764355

EC Number：

224-558-1

UNII：

N919E46723

NSC Number：

18205

DSSTox ID：

DTXSID2045107

NCI Thesaurus Code：

C84056

ATC Code：

J - Antiinfectives for systemic use

HScode：

29319019

Characteristics

PSA：

104.64000

XLogP3：

-2

Appearance：

Solid

Density：

1.858g/cm3

Melting Point：

143-146 °C

Boiling Point：

490.2ºC at 760mmHg

Water Solubility：

soluble in water.water: soluble 100mg/mL, clear to very slightly hazy, colorless

Collision Cross Section：

134.5 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.4 Å² [M+Na]+

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN3261

wgk germany：

hazard class code：

safety instructions：

26-36/37/39

RTECS Number：

AJ3278000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template. (See all compounds classified as Reverse Transcriptase Inhibitors.)|Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

MeSH Entry Terms：

Disodium Phosphonoacetate

Phosphonoacetic acid Use and Manufacturing

Antiviral.

Computed Properties

Molecular Weight:140.03
XLogP3:-2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:139.98746025
Monoisotopic Mass:139.98746025
Topological Polar Surface Area:94.8
Heavy Atom Count:8
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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