200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 3076-25-3
3076-25-3 | Octadecanoic acid, 2-sulfo-, 1-(1-methylethyl) ester, sodium salt (1:1)
CAS No: 3076-25-3 Catalog No: AG00317I MDL No:
Product Description
Catalog Number:
AG00317I
Chemical Name:
Octadecanoic acid, 2-sulfo-, 1-(1-methylethyl) ester, sodium salt (1:1)
CAS Number:
3076-25-3
Molecular Formula:
C21H42NaO5S
Molecular Weight:
429.6100
IUPAC Name:
sodium;1-oxo-1-propan-2-yloxyoctadecane-2-sulfonate
InChI:
InChI=1S/C21H42O5S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27(23,24)25)21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1/p-1
InChI Key:
PGWZYVPSGZRFNA-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)OC(C)C.[Na]
EC Number:
221-353-9
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.257g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.604g/mol
Monoisotopic Mass:
428.257g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.