Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

CAS
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CAS
93980-61-1
Size
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Purity
96%
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Availability
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Catalog Number

ACM93980611

Product Name

Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Structure

Structure

CAS

93980-61-1

Category

Heterocyclic Organic Compound

Synonyms

EINECS 301-039-9, Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, 93980-61-1

IUPAC Name

2-hydroxy-2-(2-oxo-2-tetradecoxyethyl)butanedioic acid

Molecular Weight

388.495640 [g/mol]

Molecular Formula

C₂₀H₃₆O₇

Canonical SMILES

CCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O

InChI Key

AINUDUZWTSLGMN-UHFFFAOYSA-N

Boiling Point

543.3ºC at 760 mmHg

Flash Point

180.5ºC

Density

1.113g/cm³

EC Number

301-039-9

Exact Mass

388.24600

H-Bond Acceptor

7

H-Bond Donor

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The molecular formula is C20H36O7.

When was Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate created and modified?

It was created on 2009-08-20 and modified on 2023-12-30.

What is the IUPAC Name of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The IUPAC Name is 2-hydroxy-2-(2-oxo-2-tetradecoxyethyl)butanedioic acid.

What is the InChI of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The InChI is InChI=1S/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-18(23)16-20(26,19(24)25)15-17(21)22/h26H,2-16H2,1H3,(H,21,22)(H,24,25).

What is the Canonical SMILES of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The Canonical SMILES is CCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O.

What is the molecular weight of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The molecular weight is 388.5 g/mol.

How many hydrogen bond donor count does Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate have?

It has 3 hydrogen bond donor count.

What is the topological polar surface area of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?

The topological polar surface area is 121 Å².

Does Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate have any defined atom stereocenter count?

No, it does not have any defined atom stereocenter count.

Is Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate canonicalized?

Yes, the compound is canonicalized.

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