Consensus flow list

(5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5h-furan-2-one

fo-ee38d914afbab234

Identity

Type
NeutralMolecule
CAS
86404-04-8
EC
617-849-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5h-furan-2-one

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZGSCRDSBTNQPMS-UJURSFKZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
IUPAC name chemrof:IUPAC_name (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5h-furan-2-one
Molecular formula chemrof:molecular_formula C8H12O6
Molecular mass chemrof:molecular_mass 204.178
Monoisotopic mass chemrof:monoisotopic_mass 204.063388, 204.06339
SMILES string chemrof:smiles_string CCOC1=C(O)C(=O)OC1C(O)CO

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=86404-04-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189226 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.448 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.132853.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020595 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6MW60CB71P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J486.253H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/150736 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1373720 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27265176 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bb02a47a-4197-4332-a805-23e2037c22cf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3819b15c-f7e9-4cfe-8cd8-399d8f154312 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
860128c9-5a2a-493f-a329-423bc8af4696 Environmental → Air → Indoor EF 3.1 kg 2
2c906056-83ca-4848-8a4a-d30ef1986080 Environmental → Air → Long-term EF 3.1 kg 0
f5d897f2-b648-478f-871b-f0606e53bcb3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
273817e1-ab50-4082-a632-04430b26f7df Environmental → Air → Unknown EF 3.1 kg 2
6aba5b89-d237-44c8-8df3-ebd2964f7afe Environmental → Ground → Agricultural EF 3.1 kg 2
db827c60-eddd-44b6-acf7-228b87272a38 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c0487796-eeb9-4450-95d3-df9a9ebbf5b0 Environmental → Ground → Unknown EF 3.1 kg 2
caeb98c7-f361-498b-8efc-860ed0ad480c Environmental → Water → Long-term EF 3.1 kg 0
869a0354-de22-4c73-84da-fd7bc4252d47 Environmental → Water → Ocean EF 3.1 kg 2
31fcd7ad-84a8-453c-ad81-66a7fcf09224 Environmental → Water → Surface water EF 3.1 kg 2
c4f94757-bf3b-4f26-99c5-640cf07b39ca Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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