CAS
94291-87-9 Purity
96%
94291-87-9 Purity
96%
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Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate
CAS
94291-92-6
Catalog Number
ACM94291926
Category
Other Products
Molecular Weight
471.626750 [g/mol]
Molecular Formula
C22H43NO6SNa
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Specification
Synonyms
EINECS 304-920-6, Sodium hydrogen 2-((1-oxooctadecyl)amino)-4-sulphonatobutyrate, 94291-92-6
IUPAC Name
sodium 4-hydroxy-3-(octadecanoylamino)-4-oxobutane-1-sulfonate
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)O.[Na+]
InChI Key
XDIZPRWNZSWAQP-UHFFFAOYSA-M
EC Number
304-920-6
Exact Mass
471.26300
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
The molecular formula is C22H42NNaO6S.
What is the molecular weight of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
The molecular weight is 471.6 g/mol.
What are some synonyms for Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
Some synonyms include EINECS 304-920-6 and 94291-92-6.
When was Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate created and modified in PubChem?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
The IUPAC name is sodium;4-hydroxy-3-(octadecanoylamino)-4-oxobutane-1-sulfonate.
What is the InChIKey of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
The InChIKey is XDIZPRWNZSWAQP-UHFFFAOYSA-M.
What is the Canonical SMILES of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
The Canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)O.[Na+].
How many hydrogen bond donor counts does Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate have?
It has 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate?
It has 6 hydrogen bond acceptor counts.
Is the compound Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulfonatobutyrate canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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