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Structure

Sorbitan,mono(12-hydroxyoctadecanoate)

CAS
93963-94-1
Catalog Number
ACM93963941
Category
Other Products
Molecular Weight
446.617840 [g/mol]
Molecular Formula
C24H46O7

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Specification

Synonyms
EINECS 300-840-0, Sorbitan, mono(12-hydroxyoctadecanoate), 93963-94-1
IUPAC Name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 12-hydroxyoctadecanoate
Canonical SMILES
CCCCCCC(CCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O)O
InChI Key
XQAQXKMCCIJQGO-JVKPGNLISA-N
EC Number
300-840-0
H-Bond Acceptor
7
H-Bond Donor
4
What is the molecular formula of Sorbitan, mono(12-hydroxyoctadecanoate)?

The molecular formula of Sorbitan, mono(12-hydroxyoctadecanoate) is C24H46O7.

When was Sorbitan, mono(12-hydroxyoctadecanoate) created in PubChem?

Sorbitan, mono(12-hydroxyoctadecanoate) was created in PubChem on August 20, 2009.

What is the molecular weight of Sorbitan, mono(12-hydroxyoctadecanoate)?

The molecular weight of Sorbitan, mono(12-hydroxyoctadecanoate) is 446.6 g/mol.

What is the IUPAC name of Sorbitan, mono(12-hydroxyoctadecanoate)?

The IUPAC name of Sorbitan, mono(12-hydroxyoctadecanoate) is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 12-hydroxyoctadecanoate.

What is the InChIKey of Sorbitan, mono(12-hydroxyoctadecanoate)?

The InChIKey of Sorbitan, mono(12-hydroxyoctadecanoate) is XQAQXKMCCIJQGO-JVKPGNLISA-N.

How many hydrogen bond donor counts does Sorbitan, mono(12-hydroxyoctadecanoate) have?

Sorbitan, mono(12-hydroxyoctadecanoate) has 4 hydrogen bond donor counts.

What is the topological polar surface area of Sorbitan, mono(12-hydroxyoctadecanoate)?

The topological polar surface area of Sorbitan, mono(12-hydroxyoctadecanoate) is 116 Å^2.

Does Sorbitan, mono(12-hydroxyoctadecanoate) have any defined bond stereocenter counts?

No, Sorbitan, mono(12-hydroxyoctadecanoate) has 0 defined bond stereocenter counts.

What is the XLogP3-AA value of Sorbitan, mono(12-hydroxyoctadecanoate)?

The XLogP3-AA value of Sorbitan, mono(12-hydroxyoctadecanoate) is 4.5.

Is the compound of Sorbitan, mono(12-hydroxyoctadecanoate) canonicalized?

Yes, the compound of Sorbitan, mono(12-hydroxyoctadecanoate) is canonicalized.

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