trans-2-Iodovinylboronic acid MIDA ester

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Product Information

Molecular Formula:
C7H9BINO4
Molecular Weight:
308.87
Description
trans-2-Iodovinylboronic acid MIDA ester is an indispensable compound in the realm of biomedicine. It serves as a remarkably versatile cornerstone facilitating the intricate synthesis of pharmaceutical agents with profound implications in conquering multifarious maladies, notably cancer. With its distinctive attributes, this compound assumes an irreplaceable role for medicinal chemists, propelling advancements in therapeutic modalities by pioneering the creation of groundbreaking remedies.
Synonyms
MIDA013
IUPAC Name
2-[(E)-2-iodoethenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C=CI
InChI
InChI=1S/C7H9BINO4/c1-10-4-6(11)13-8(2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2+
InChI Key
DVVPFXIZOZTSBN-NSCUHMNNSA-N
Melting Point
155-158 °C
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
308.96694 g/mol
Monoisotopic Mass
308.96694 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
250
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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