Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt)


Chemical Name: Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt)
CAS Number: 5949-16-6
Product Number: AG003OWQ(AGN-PC-0SSGGP)
Synonyms:
MDL No:
Molecular Formula: C38H46N4O6S
Molecular Weight: 686.8600

Identification/Properties


Properties
MP:
>186°C (dec.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
686.868g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
6
Exact Mass:
686.314g/mol
Monoisotopic Mass:
686.314g/mol
Topological Polar Surface Area:
156A^2
Heavy Atom Count:
49
Formal Charge:
0
Complexity:
494
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312+P330-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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