Pyrophosphoric acid - Moligand™, ≥95% H4P2O7 basis , CAS No.2466-09-3

CAS: 2466-09-3 Cat. No.: P101704 Formula: (HO)₂P(O)OP(O)(OH)₂ Peso molecolare: 177.98 Numero EC: 219-574-0

GRADE & PURITY Moligand™, ≥95% H4P2O7 basis

Synonyms

DIPHSOPHORIC ACID | NCGC00013687 | PYROPHOSPHORIC ACID [MI] | [(HO)2P(O)OP(O)(OH)2] | acide diphosphorique | DB04160 | XPPKVPWEQAFLFU-UHFFFAOYSA-N | NCI60_004388 | (4-)Diphosphoric acid ion | DIPHOSPHORIC-ACID | BDBM50147591 | L000488 | NCIStruc2_000426 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Pyrophosphoric acid has been shown to enhance the rate of pyrophosphate hydrolysis by nonenzymatic catlysis and by inorganic pyrophoshatase. Pyrophosphoric acid can be used for the preparation of vanadyl pyrophosphato methoxide cluster anion. Pyrophosphoric Acid is used in anion binding of inorganic phosphates due to its ability to form complexes.An enhanger of the rate of pyrophosphate hydrolysis by nonenzymatic catlysis and by inorganic pyrophoshatase.

Specifications

Sinonimi

DIPHSOPHORIC ACID | NCGC00013687 | PYROPHOSPHORIC ACID [MI] | [(HO)2P(O)OP(O)(OH)2] | acide diphosphorique | DB04160 | XPPKVPWEQAFLFU-UHFFFAOYSA-N | NCI60_004388 | (4-)Diphosphoric acid ion | DIPHOSPHORIC-ACID | BDBM50147591 | L000488 | NCIStruc2_000426 |

Specifiche e purezza

Moligand™, ≥95% H4P2O7 basis

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Grado

Moligand™

Purezza

≥95% H4P2O7 basis

Nomi e identificatori

Pubchem Sid

508814661

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814661

Sorrisi canonici

OP(=O)(O)OP(=O)(O)O

IUPAC Name

phosphono dihydrogen phosphate

InChIKey

XPPKVPWEQAFLFU-UHFFFAOYSA-N

INCHI

1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

Isomeri SMILES

OP(=O)(O)OP(=O)(O)O

WGK Germania

3

RTECS

JL6672500

Numero UN

3260

Gruppo di imballaggio

II

Peso molecolare

177.98

Reaxy-Rn

3942075

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3942075&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Classe Non-metal oxoanionic compounds
      • Subclass Non-metal pyrophosphates

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Classe: Non-metal oxoanionic compounds
• Subclass: Non-metal pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Non-metal pyrophosphates
• Alternative Parents: Inorganic oxides
• Molecular Framework: Not available
• Substituents: Non-metal pyrophosphate - Inorganic oxide
• Descrizione: This compound belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.
• External Descriptors: phosphorus oxoacid - acyclic phosphorus acid anhydride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

FDPS Tclin Farnesyl pyrophosphate synthase (2 Activities)

Discover Target: FDPS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

Discover Target: FDPS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OTC Tchem Ornithine carbamoyltransferase (24 Activities)

Discover Target: OTC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Plasmodium falciparum (966862 Activities)

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Hepatitis C virus (23859 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture Sensitive
• Punto di fusione (°C): 58-63℃
• Peso molecolare: 177.980 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 177.943 Da
• Monoisotopic Mass: 177.943 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1