Sucrose hexalaurate

CAS

94139-22-7

Catalog Number

ACM94139227

Category

Other Products

Molecular Weight

1436.111360 [g/mol]

Molecular Formula

C₈₄H₁₅₄O₁₇

MSDS COA Spec Sheet

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Specification

Synonyms

Sucrose hexalaurate, EINECS 303-037-3, 94139-22-7

IUPAC Name

[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-3,4-di(dodecanoyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)oxolan-2-yl]methyl dodecanoate

Canonical SMILES

CCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCC)OC2C(C(C(C(O2)CO)O)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI Key

XJJOPPNDHZIDHA-WGURRDFWSA-N

EC Number

303-037-3

Exact Mass

1435.12000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of sucrose hexalaurate?

The molecular formula of sucrose hexalaurate is C84H154O17.

When was sucrose hexalaurate created and last modified according to PubChem?

Sucrose hexalaurate was created on 2009-08-20 and last modified on 2023-12-30.

What is the molecular weight of sucrose hexalaurate?

The molecular weight of sucrose hexalaurate is 1436.1 g/mol.

What is the IUPAC name of sucrose hexalaurate?

The IUPAC name of sucrose hexalaurate is [(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-3,4-di(dodecanoyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)oxolan-2-yl]methyl dodecanoate.

What is the InChIKey of sucrose hexalaurate?

The InChIKey of sucrose hexalaurate is XJJOPPNDHZIDHA-WGURRDFWSA-N.

How many hydrogen bond donor counts are there in sucrose hexalaurate?

There are 2 hydrogen bond donor counts in sucrose hexalaurate.

What is the XLogP3-AA value of sucrose hexalaurate?

The XLogP3-AA value of sucrose hexalaurate is 29.4.

How many rotatable bond counts are there in sucrose hexalaurate?

There are 77 rotatable bond counts in sucrose hexalaurate.

What is the heavy atom count of sucrose hexalaurate?

The heavy atom count of sucrose hexalaurate is 101.

What is the topological polar surface area of sucrose hexalaurate?

The topological polar surface area of sucrose hexalaurate is 226 Å2.