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Triacetoxyborohydride

An organic compound, C6H10BO6-, 188.952 g/mol.

verified record, Organic compound

Identifiers

Molecular formula
C₆H₁₀BO₆-
Molecular weight
188.952 g/mol
Exact mass
189.057592 g/mol
IUPAC name
triacetyloxyboranuide
SMILES
CC(=O)O[BH-](OC(C)=O)OC(C)=O
InChI
InChI=1S/C6H10BO6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3/q-1
InChIKey
JVCCMXQDRZDLSY-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
188.95 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
189.0570432 Dacalculated · reference compound database
Mass of the most common isotopic form.
Polar surface area
78.9 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
187calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
7calculated · reference compound database
logP
-0.6071calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
78.9 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
6calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
3calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
42.447 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.5calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.5507calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

    Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

    Structure

    Heavy atoms, hydrogen excluded
    13
    Total atoms, hydrogen included
    23
    Rings
    0
    Aromatic rings
    0
    Stereocentres
    0
    Formal charge
    -1

    The molecule in three dimensions

    Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

    The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

    Reactions it appears in

    No documented reaction with a written procedure and a source involves Triacetoxyborohydride yet.

    Other names for it

    The systematic name on this record is triacetyloxyboranuide.

    The sources also call it triacetoxy borohydride, Triacetoxyboranuide, trisacetoxyborohydride, triacetoxy-borohydride, Tri(acetoxy)borohydride, JVCCMXQDRZDLSY-UHFFFAOYSA-N, BIS(ACETYLOXY)BORANUIDYL ACETATE.

    Structurally related

    Nothing structurally close to Triacetoxyborohydride has a page here yet.

    Seen alongside it in reaction records

    Molecules that appear in the same recorded reactions as Triacetoxyborohydride. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

    1,2-Dichloroethane

    used as a reactant

    C₂H₄Cl₂, 98.96 g/mol.

    1,1-Dichloroethane

    used as a reactant

    C₂H₄Cl₂, 98.96 g/mol.

    1,4-Dioxaspiro[4.5]decan-8-one

    used as a reactant

    C₈H₁₂O₃, 156.181 g/mol.

    1,1-Dicyclohexyl-3-(5-formyl-thiazol-2-yl)-urea

    used as a reactant

    C₁₇H₂₅N₃O₂S, 335.473 g/mol.

    1,3-Thiazole-2-carbaldehyde

    used as a reactant

    C₄H₃NOS, 113.141 g/mol.

    Where these values came from

    compound record.

    What this page does not claim

    Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

    Where to next

    More molecules under T

    The rest of this shelf, a hundred names at a time.

    Molar mass calculator

    Work with C6H10BO6- in a calculation, with every element's contribution shown.

    Molarity calculator

    Grams of Triacetoxyborohydride for a volume and a concentration, or the concentration a mass gives.

    Open in ReactionLens

    The full record in the workstation: every atom, every bond, and the reactions it appears in.