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28319-77-9

28319-77-9 | Ethanaminium,2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, innersalt

CAS No: 28319-77-9 Catalog No: AG00383Z MDL No:MFCD00063544

Product Description

Catalog Number:
AG00383Z
Chemical Name:
Ethanaminium,2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, innersalt
CAS Number:
28319-77-9
Molecular Formula:
C8H20NO6P
Molecular Weight:
257.2213
MDL Number:
MFCD00063544
IUPAC Name:
[(2R)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
InChI Key:
SUHOQUVVVLNYQR-MRVPVSSYSA-N
SMILES:
OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
EC Number:
248-962-2
UNII:
60M22SGW66

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.223g/mol
Monoisotopic Mass:
257.103g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

Literature

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