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Npc315034

HCID 4329331
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)[O-]
InChIKey
MOTZDAYCYVMXPC-UHFFFAOYSA-M
Molecular formula
C12H25O4S-
Average molar mass
265.39 g/mol
Monoisotopic mass
265.14735545

Overview

Dodecyl sulfate is an organosulfate oxoanion. It has a role as a xenobiotic. It is a conjugate base of a dodecyl hydrogen sulfate.

Names & identifiers

Preferred name
Npc315034
IUPAC
dodecyl sulfate

Names & synonyms

RefChem:1093079Npc315034texapon DLstandapol 112avirol 118WAQEE487Sulfuric acid monododecyl ester sodium saltSodium dodecanesulfatefinasol osr (sub 2)3u90MOTZDAYCYVMXPC-UHFFFAOYSA-M
Show more names
BDBM50530482AKOS028111868NCGC00091020-04NCGC00091020-05PD161349

Database identifiers

PubChem CID
4329331
ChEBI
CHEBI:23872
Nikkaji
J1.771.286A、J283.001I

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
74.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
17
Formal charge
-1
Complexity
230

Related reactions

11 records
New reaction record
HRID 265226 reaction equation
HRID 265226As reactantuspto-grants-1997_07
HRID 293567 reaction equation
HRID 293567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 700150 reaction equation
HRID 700150As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 819827 reaction equation
HRID 819827As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1136179 reaction equation
HRID 1136179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1202054 reaction equation
HRID 1202054As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1625532 reaction equation
HRID 1625532As reactantuspto-grants-2014_07
HRID 1906250 reaction equation
HRID 1906250As reactantuspto-grants-1987_03
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Compound notes

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