4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-


Chemical Name: 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-
CAS Number: 22189-32-8
Product Number: AG00I4D6(AGN-PC-0QYTHE)
Synonyms:
MDL No: MFCD00150886
Molecular Formula: C14H36Cl2N2O12
Molecular Weight: 495.3478

Identification/Properties


Computed Properties
Molecular Weight:
495.344g/mol
Hydrogen Bond Donor Count:
12
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
2
Exact Mass:
494.165g/mol
Monoisotopic Mass:
494.165g/mol
Topological Polar Surface Area:
135A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
478
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
9
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
8
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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