Grundinformationen
- Standard-SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
UFZTZBNSLXELAL-IOSLPCCCSA-N- Summenformel
- C11H18N5O12P3
- Durchschnittliche Molmasse
- 505,21 g/mol
- Monoisotopische Masse
- 505,01648091
Überblick
Adenosine 5'-[beta,gamma-methylene]triphosphate is a nucleoside triphosphate analogue.
Namen und Bezeichner
- Bevorzugter Name
- beta,gamma-Methylene ATP
- IUPAC
- [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
- Lokaler Name
- Adenosin-5'-monophosphat, Monosaüreanhydrid mit (Phosphonomethyl)phosphonsure
- Englischer Name
- adenosine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid
- Summenformel
- C11H18N5O12P3
- Molmasse
- 505.21
Namen und Synonyme
AMP-PCP3469-78-1beta,gamma-Methylene ATPAMPPCPadenylyl methylenediphosphateadenylyl methylene diphosphate5'-Adenylyl (beta,gamma-methylene)diphosphonateadenylyl(beta,gamma-methylene)diphosphonateadenosine (beta,gamma-methylene)triphosphateadenosine 5'-beta,gamma-methylenetriphosphate5'-Adenylic acid, monohydride with methylenebis(phosphonic acid)beta-gamma-meATP
Weitere Namen anzeigen
AMP-P(CH2)PAMP PCP,AMPPCPEinecs 222-435-7β,γ-MethyleneATPβ,γ-Methylene ATPAdenylyl methylenediphosphonate5'-Adenylic acid (phosphonomethyl)phosphonyl esterADENOSINE 5 -MONOPHOSPHATE MONOANHYDRIDE WITH (P...
beta,gamma-Me-ATPL-beta,gamma-MeATPbeta, gamma-methylene-ATPRefChem:553022222-435-7L-betagamma-meATPphosphomethylphosphonic acid adenylate ester[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
Datenbank-Bezeichner
- CAS
3469-78-1、7414-56-4- PubChem CID
- 91532
- DTXSID
DTXSID80956172- ChEMBL
CHEMBL133463- ChEBI
CHEBI:40532- UNII
- ML8Y9NHZ7W
- EC Number
- 222-435-7、621-685-8
- Nikkaji
- J152.173J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,9
- Polarare Oberfläche (TPSA)
- 270 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 800
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 968.2 · 968.2±75.0 °C(Predicted)
- Dichte
- 2.5 · 2.50±0.1 g/cm3(Predicted)
- pka
- 0.68 · 0.68±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemie und Industrie
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