2-Chloroinosine 3',4',6'-Triacetate


Chemical Name: 2-Chloroinosine 3',4',6'-Triacetate
CAS Number: 41623-86-3
Product Number: AG00C92L(AGN-PC-0WAIT5)
Synonyms:
MDL No:
Molecular Formula: C16H17ClN4O8
Molecular Weight: 428.78118

Identification/Properties


Computed Properties
Molecular Weight:
428.782g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
8
Exact Mass:
428.073g/mol
Monoisotopic Mass:
428.073g/mol
Topological Polar Surface Area:
147A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
746
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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