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Record Information
Version	2.0
Creation Date	2015-09-08 17:49:38 -0600
Update Date	2015-09-08 17:49:38 -0600
Secondary Accession Numbers	ECMDB24139
Identification
Name:	Ribose-1-arsenate
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa25154bc> Close
Synonyms:	Ribose-1-arsenic acid
Chemical Formula:	C5H11AsO8
Weight:	Average: 274.0576 Monoisotopic: 273.966988745
InChI Key:	RYJJOMQPAAUFBF-UHFFFAOYSA-N
InChI:	InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)
CAS number:	Not Available
IUPAC Name:	{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid
Traditional IUPAC Name:	[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid
SMILES:	OCC1OC(O[As](O)(O)=O)C(O)C1O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Carbohydrates and carbohydrate conjugates
Direct Parent	Pentoses
Alternative Parents	Tetrahydrofurans Organic arsenates Secondary alcohols Oxacyclic compounds Organic metalloid salts Primary alcohols Organic oxides Hydrocarbon derivatives
Substituents	Pentose monosaccharide Organic arsenate Tetrahydrofuran Secondary alcohol Oxacycle Organic metalloid salt Organoheterocyclic compound Organic oxide Hydrocarbon derivative Organic salt Primary alcohol Alcohol Aliphatic heteromonocyclic compound
Molecular Framework	Aliphatic heteromonocyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Not Available
Charge:	-2
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 128 g/L ALOGPS logP -1.9 ALOGPS logP -2.5 ChemAxon logS -0.33 ALOGPS pKa (Strongest Acidic) 2.84 ChemAxon pKa (Strongest Basic) -3 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 7 ChemAxon Hydrogen Donor Count 5 ChemAxon Polar Surface Area 136.68 Ų ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 35.32 m³·mol⁻¹ ChemAxon Polarizability 19.5 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-0abc-9520000000-a0c65c4bcea599ae5ea9 View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive splash10-0fmi-5943500000-caf6aec749d30685eb6f View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-00di-1490000000-9d293addb7286ab37fcc View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-006x-2960000000-c78724961bd6dbd7e4c7 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0007-9500000000-cbdffb5ae5beabebf7c0 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-00di-0590000000-cdd92ccad8b8d1e28ba7 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0005-9630000000-c5a127a86ee73b559ec5 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-00dl-5900000000-219bdb7e0df5599a5350 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-01c0-0940000000-b7e4f6d8c0280bd3a0ae View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0n93-9700000000-0e1fa8b64423c277fb01 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0a4m-9100000000-e109937fdcb817890707 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-00di-0490000000-250adfd2ba1261afeb8e View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-00di-1900000000-d27a5fa919b88db004d0 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-00dl-4900000000-03a5f40c19a1b8064de5 View in MoNA 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 169630 HMDB ID HMDB0012285 Pubchem Compound ID 25201247 Kegg ID Not Available ChemSpider ID 35032430 Wikipedia ID Not Available BioCyc ID Not Available