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208757-51-1 | 4,6,10-Trioxa-5-phosphadocosanoic acid, 2-amino-5-hydroxy-11-oxo-8-[(1-oxododecyl)oxy]-, 5-oxide, sodium salt (1:1), (2S,8R)-
CAS No: 208757-51-1 Catalog No: AG002JUY MDL No:
Product Description
Catalog Number:
AG002JUY
Chemical Name:
4,6,10-Trioxa-5-phosphadocosanoic acid, 2-amino-5-hydroxy-11-oxo-8-[(1-oxododecyl)oxy]-, 5-oxide, sodium salt (1:1), (2S,8R)-
CAS Number:
208757-51-1
IUPAC Name:
disodium;(2S)-2-amino-3-[[(2R)-2,3-di(dodecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate
InChI:
InChI=1S/C30H58NO10P.2Na/c1-3-5-7-9-11-13-15-17-19-21-28(32)38-23-26(24-39-42(36,37)40-25-27(31)30(34)35)41-29(33)22-20-18-16-14-12-10-8-6-4-2;;/h26-27H,3-25,31H2,1-2H3,(H,34,35)(H,36,37);;/q;2*+1/p-2/t26-,27+;;/m1../s1
InChI Key:
SFFNDGPJOWQUTH-IBUTWNQASA-L
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
667.344g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
667.728g/mol
Monoisotopic Mass:
667.344g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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