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1-Docosanol, phosphate, compd. with 2-aminoethanol

HCID 44152129
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Basic information

CAS
98143-48-7
Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.NCCO
InChIKey
GSXAUNRJTKBWLM-UHFFFAOYSA-N
Molecular formula
C24H54NO5P
Average molar mass
467.7 g/mol
Monoisotopic mass
467.37396082

Names & identifiers

Preferred name
1-Docosanol, phosphate, compd. with 2-aminoethanol
IUPAC
2-aminoethanol;docosyl dihydrogen phosphate

Names & synonyms

EINECS 308-613-898143-48-7DTXSID00243475RefChem:75628DTXCID00165966308-613-8Docosyl dihydrogen phosphate--2-aminoethan-1-ol (1/1)

Database identifiers

CAS
98143-48-7
PubChem CID
44152129
DTXSID
DTXSID00243475
EC Number
308-613-8

Properties

Computed structural properties

Topological polar surface area
113 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
23
Heavy atoms
31
Formal charge
0
Complexity
340

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Compound notes

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