D-Mannopyranose, pentabenzoate


Chemical Name: D-Mannopyranose, pentabenzoate
CAS Number: 96996-90-6
Product Number: AG00IJVY(AGN-PC-0OOIWF)
Synonyms:
MDL No:
Molecular Formula: C41H32O11
Molecular Weight: 700.6862

Identification/Properties


Computed Properties
Molecular Weight:
700.696g/mol
XLogP3:
8.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
16
Exact Mass:
700.194g/mol
Monoisotopic Mass:
700.194g/mol
Topological Polar Surface Area:
141A^2
Heavy Atom Count:
52
Formal Charge:
0
Complexity:
1190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
1
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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