Home Other Building Blocks 1-Docosanol, 1-(hydrogen sulfate), sodium salt (1:1)

1-Docosanol, 1-(hydrogen sulfate), sodium salt (1:1)

CAS No.:
13177-50-9
Catalog Number:
AG000ZPM
Molecular Formula:
C22H45NaO4S
Molecular Weight:
428.6451
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Product Description
Catalog Number:
AG000ZPM
Chemical Name:
1-Docosanol, 1-(hydrogen sulfate), sodium salt (1:1)
CAS Number:
13177-50-9
Molecular Formula:
C22H45NaO4S
Molecular Weight:
428.6451
MDL Number:
MFCD22681515
IUPAC Name:
sodium;docosyl sulfate
InChI:
InChI=1S/C22H46O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);/q;+1/p-1
InChI Key:
CVPADSYHPKIYAH-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
EC Number:
236-127-5
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.294g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.648g/mol
Monoisotopic Mass:
428.294g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties