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BONGKREKIC ACID

CAS 11076-19-0C28H38O7MW 486.6

BONGKREKIC ACID (CAS 11076-19-0) — formula C28H38O7, molecular weight 486.6; category organic chemicals.

Product Overview

CAS Number11076-19-0
Molecular FormulaC28H38O7
Molecular Weight486.6
Melting Point50-60 °C
LogP5.7
CategoryOrganic Chemicals

Technical Profile

What this product is

BONGKREKIC ACID is a carbon-based organic compound with CAS registry number 11076-19-0 and molecular formula C28H38O7 (molecular weight 486.6), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 11076-19-0

Its molecular formula C28H38O7 comprises 28 C, 38 H, 7 O atoms.

Also known as: BONGKREKIC ACID · 邦克里克酸

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of BONGKREKIC ACID?

The CAS registry number of BONGKREKIC ACID is 11076-19-0.

What is the molecular formula and molecular weight of BONGKREKIC ACID?

Molecular formula C28H38O7, molecular weight 486.6.

What other names is BONGKREKIC ACID known by?

It is also registered under: BONGKREKIC ACID, 邦克里克酸.

Which category does BONGKREKIC ACID belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for BONGKREKIC ACID (CAS 11076-19-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number11076-19-0
PubChem CID6433556
Molecular formulaC28H38O7
IUPAC name(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid
UNII (FDA)L7V4I673D2

Computed descriptors

Molecular Weight486.6
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass486.26175355
Monoisotopic Mass486.26175355
Topological Polar Surface Area121
Heavy Atom Count35

Physicochemical values on record

Melting Point50-60 °C

Documented uses on record

    Laboratory chemicals, synthesis of substances.Bongkrekic (or bongkrek) acid, produced in fermented coconut by a pathovar of the bacterium Burkholderia gladioli, is a more potent respiratory toxin than cyanide. Its first total synthesis was reported by E. J. Corey and A. Tramontano in 1984, and M. Shindo and co-workers described improved syntheses in 2004 and 2009. Most recently, S. V. Ley used three stereospecific palladium cross-coupling reactions to accomplish an even better synthesis.

    Synonyms and trade names

    BONGKREKIC ACID; 11076-19-0; Bongkrek acid; L7V4I673D2; (-)-BONGKREKIC ACID; CHEBI:77742; DTXSID00894840; 3-Carboxymethyl-17-methoxy-6,18,21-trimethyldocosa-2,4,8,12,14,18,20-heptaenedioic acid; RefChem:569813; DTXCID301324402; 998-673-7; Flavotoxin A; Bongkrekate; Bongkreksaure; UNII-L7V4I673D2; Isobongkrekic acid,

    GHS hazard classification

    Reported hazard statementsH301 (100%)

    H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

    P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

    What the public record says

    BONGKREKIC ACID · CAS 11076-19-0 · C28H38O7. UNII L7V4I673D2. Melting Point: 50-60 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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