Sorbitan Tristearate

CAT: 0127-OR1028034-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1028034-01Size:100 g

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CAS Number

26658-19-5

Purity

Fatty acid content:85%

Smiles

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C1OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC

Chemical Information

Sorbitan trioctadecanoate

Sorbitan tristearate is a small molecule drug. Sorbitan tristearate has a monoisotopic molecular weight of 962.85 Da.

CAS Number	26658-19-5
PubChem CID	15181202
IUPAC Name	[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate
Molecular Formula	C60H114O8
Molecular Weight	963.5
XLogP	24.3
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	56
Heavy Atom Count	68
Formal Charge	0
Complexity	1100

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1

InChIKey

IJCWFDPJFXGQBN-RYNSOKOISA-N

Chemical Structure

2D Structure

CAS: 26658-19-5

CID: 15181202

Formula: C60H114O8

MW: 963.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	963.5
XLogP3	24.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	56
Exact Mass	962.85137059
Monoisotopic Mass	962.85137059
Topological Polar Surface Area	108 Å²
Heavy Atom Count	68
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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S07948-01	Sorbitan tristearate
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HY-W763560	Sorbitan Sesquioleate

Sorbitan Tristearate

Chemical Information

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