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Structure

Dl-1,4-bis-O-(phenylmethyl)-myo inositol

CAS
99782-78-2
Catalog Number
ACM99782782
Category
Other Products
Molecular Weight
362.42
Molecular Formula
C20H26O6

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Specification

Synonyms
DL-1,4-BIS-O-(PHENYLMETHYL)-MYO INOSITOL
IUPAC Name
3,6-bis(phenylmethoxy)cyclohexane-1,2,4,5-tetrol
Canonical SMILES
C1=CC=C(C=C1)COC2C(C(C(C(C2O)O)OCC3=CC=CC=C3)O)O
InChI Key
UCJKCSNAJUPHIM-UHFFFAOYSA-N
Exact Mass
362.17300
H-Bond Acceptor
6
H-Bond Donor
4
What is the molecular formula of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The molecular formula is C20H24O6.

What is the molecular weight of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The molecular weight is 360.4 g/mol.

What is the IUPAC name of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The IUPAC name is 3,6-bis(phenylmethoxy)cyclohexane-1,2,4,5-tetrol.

What is the InChI of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The InChI is InChI=1S/C20H24O6/c21-15-17(23)20(26-12-14-9-5-2-6-10-14)18(24)16(22)19(15)25-11-13-7-3-1-4-8-13/h1-10,15-24H,11-12H2.

What is the InChIKey of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The InChIKey is UCJKCSNAJUPHIM-UHFFFAOYSA-N.

What is the Canonical SMILES of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The Canonical SMILES is C1=CC=C(C=C1)COC2C(C(C(C(C2O)O)OCC3=CC=CC=C3)O)O.

How many hydrogen bond donor counts does DL-1,4-bis-O-(phenylmethyl)-myo inositol have?

It has 4 hydrogen bond donor counts.

What is the XLogP3-AA value of DL-1,4-bis-O-(phenylmethyl)-myo inositol?

The XLogP3-AA value is 0.4.

How many hydrogen bond acceptor counts does DL-1,4-bis-O-(phenylmethyl)-myo inositol have?

It has 6 hydrogen bond acceptor counts.

Is DL-1,4-bis-O-(phenylmethyl)-myo inositol a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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