Consensus flow list

Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate

fo-59f8951563ab52ce

Identity

Type
Chemical salt
CAS
742087-49-6
EC
664-492-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HTHVRYMQKDFNEZ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C21H42O10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-30-21-20(25)19(24)18(23)17(31-21)14-29-13-16(22)15-32(26,27)28;/h16-25H,2-15H2,1H3,(H,26,27,28);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate
Molecular formula chemrof:molecular_formula C21H41NaO10S
Molecular mass chemrof:molecular_mass 508.606
Monoisotopic mass chemrof:monoisotopic_mass 508.231813
SMILES string chemrof:smiles_string CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]

Known URLs

1

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=742087-49-6 enrich_references.consensus_cas_link

Elementary flows

13
Flow Context Source Unit CFs
d1e24b68-2db5-4f7f-b65a-11f9f2b362c1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
712cd3cc-5c6e-4c0b-ad61-a7194f2e2d8c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fbd13e8e-8740-4d42-b47a-3ee4be98843e Environmental → Air → Indoor EF 3.1 kg 2
32622a55-8e40-4623-88f0-8d7e73af6f00 Environmental → Air → Long-term EF 3.1 kg 0
1740b66c-6586-4ab5-a4e9-c328d697947b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
762d2a7b-3a5f-46bf-8037-ae03ece716f1 Environmental → Air → Unknown EF 3.1 kg 2
f695b6e4-38aa-435b-9c20-b7236dbd5523 Environmental → Ground → Agricultural EF 3.1 kg 2
b82f90e2-2ee3-49bc-a258-ccbabba8a82b Environmental → Ground → Non-agricultural EF 3.1 kg 2
abcb2c59-86ea-4a5e-a89d-3d207a9001db Environmental → Ground → Unknown EF 3.1 kg 2
0525fc8f-41ab-4c5a-a5d5-e2ca2752e1b8 Environmental → Water → Long-term EF 3.1 kg 0
ad221128-96ef-4bc5-b7e1-2eeaee4b15d0 Environmental → Water → Ocean EF 3.1 kg 2
149022f7-2e1a-4835-895e-79e4d0d725b0 Environmental → Water → Surface water EF 3.1 kg 2
c9ffef1f-e3cc-44ba-b0a3-5763620f1777 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON 
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