Cinchonan-9-ol, (8a,9R)-, sulfate (2:1) (salt)


Chemical Name: Cinchonan-9-ol, (8a,9R)-, sulfate (2:1) (salt)
CAS Number: 524-61-8
Product Number: AG003OWN(AGN-PC-0SCSOP)
Synonyms:
MDL No:
Molecular Formula: C19H28N2O7S
Molecular Weight: 428.4998

Identification/Properties


Properties
BP:
464.5°C at 760 mmHg
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312+P330-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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