DM4-SPDB


Chemical Name: DM4-SPDB
CAS Number: 1626359-62-3
Product Number: AG01EN4J(AGN-PC-0WAM86)
Synonyms:
MDL No: MFCD28398158
Molecular Formula: C46H63ClN4O14S2
Molecular Weight: 995.5938

Identification/Properties


Computed Properties
Molecular Weight:
995.594g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
16
Rotatable Bond Count:
17
Exact Mass:
994.347g/mol
Monoisotopic Mass:
994.347g/mol
Topological Polar Surface Area:
271A^2
Heavy Atom Count:
67
Formal Charge:
0
Complexity:
1910
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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