Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-, sulfate (2:1) (salt), dihydrate


Chemical Name: Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-, sulfate (2:1) (salt), dihydrate
CAS Number: 6119-70-6
Product Number: AG00395R(AGN-PC-0SZ8V2)
Synonyms:
MDL No:
Molecular Formula: C40H58N4O12S
Molecular Weight: 818.9731

Identification/Properties


Computed Properties
Molecular Weight:
782.95g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
8
Exact Mass:
782.356g/mol
Monoisotopic Mass:
782.356g/mol
Topological Polar Surface Area:
176A^2
Heavy Atom Count:
55
Formal Charge:
0
Complexity:
538
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:
5
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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