CAS
93820-13-4 Purity
96%
93820-13-4 Purity
96%
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1,4:3,6-Dianhydro-d-glucitol monoisostearate
CAS
93820-23-6
Catalog Number
ACM93820236
Category
Other Products
Molecular Weight
412.603160 [g/mol]
Molecular Formula
C24H44O5
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Specification
Synonyms
1,4:3,6-Dianhydro-D-glucitol monoisostearate; EINECS 298-606-5;
IUPAC Name
[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 16-methylheptadecanoate
Canonical SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC1COC2C1OCC2O
InChI Key
IIIMZCWRDUOXSI-CBJLPSGESA-N
EC Number
298-606-5
Exact Mass
412.31900
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The molecular formula is C24H44O5.
When was 1,4:3,6-Dianhydro-d-glucitol monoisostearate first created in PubChem?
It was first created in PubChem on 2012-03-21.
What is the molecular weight of 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The molecular weight is 412.6 g/mol.
What is the InChIKey for 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The InChIKey is IIIMZCWRDUOXSI-CBJLPSGESA-N.
How many hydrogen bond acceptors does 1,4:3,6-Dianhydro-d-glucitol monoisostearate have?
It has 5 hydrogen bond acceptors.
What is the topological polar surface area of 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The topological polar surface area is 65 Å2.
How many defined atom stereocenters does 1,4:3,6-Dianhydro-d-glucitol monoisostearate have?
It has 4 defined atom stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3 value for 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The XLogP3 value is 7.3.
What is the European Community (EC) number for 1,4:3,6-Dianhydro-d-glucitol monoisostearate?
The EC number is 298-606-5.
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