3-Isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-,(3S,4aR,6S,8aR)-


Chemical Name: 3-Isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-,(3S,4aR,6S,8aR)-
CAS Number: 137433-06-8
Product Number: AG009GPD(AGN-PC-0PLF41)
Synonyms:
MDL No: MFCD00919218
Molecular Formula: C11H20NO5P
Molecular Weight: 277.2540

Identification/Properties


Computed Properties
Molecular Weight:
277.257g/mol
XLogP3:
-2.9
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
277.108g/mol
Monoisotopic Mass:
277.108g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
368
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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