Record Information
Version1.0
Creation Date2018-06-29 22:18:32 UTC
Update Date2020-06-04 22:50:33 UTC
BMDB IDBMDB0062203
Secondary Accession Numbers
  • BMDB62203
Metabolite Identification
Common NameAsh
DescriptionAsh, also known as As or arsenous hydride, belongs to the class of inorganic compounds known as trivalent inorganic arsenic compounds. These are inorganic compounds containing a trivalent arsenic atom. Ash is possibly neutral.
Structure
Thumb
Synonyms
ValueSource
[AsH3]ChEBI
Arsenic trihydrideChEBI
Arsenous hydrideChEBI
ArsenwasserstoffChEBI
ArsineChEBI
AsChEBI
AsH3ChEBI
Chemical FormulaAsH3
Average Molecular Weight77.9454
Monoisotopic Molecular Weight77.945071513
IUPAC Namearsane
Traditional Namearsane
CAS Registry Number7784-42-1
SMILES
[AsH3]
InChI Identifier
InChI=1S/AsH3/h1H3
InChI KeyRBFQJDQYXXHULB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as trivalent inorganic arsenic compounds. These are inorganic compounds containing a trivalent arsenic atom.
KingdomInorganic compounds
Super ClassMiscellaneous inorganic compounds
ClassInorganic arsenic compounds
Sub ClassTrivalent inorganic arsenic compounds
Direct ParentTrivalent inorganic arsenic compounds
Alternative Parents
Substituents
  • Trivalent inorganic arsenic compound
  • Miscellaneous mixed metal/non-metal
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusExpected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.4 m³·mol⁻¹ChemAxon
Polarizability3.4 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eView in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003763
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC06269
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAsh
METLIN IDNot Available
PubChem Compound23969
PDB IDNot Available
ChEBI ID47217
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available