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Tristearyl Phosphite

CAT: 0024-sc-475203Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-475203Size:25 g
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CAS Number
2082-80-6

Chemical Information

Phosphorous acid, trioctadecyl ester
CAS Number2082-80-6
PubChem CID248442
IUPAC Nametrioctadecyl phosphite
Molecular FormulaC54H111O3P
Molecular Weight839.4
XLogP26.6
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count54
Heavy Atom Count58
Formal Charge0
Complexity599
SMILES
CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChIKey
CNUJLMSKURPSHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorous acid, trioctadecyl ester
CAS: 2082-80-6
CID: 248442
Formula: C54H111O3P
MW: 839.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight839.4
XLogP326.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count54
Exact Mass838.82708440
Monoisotopic Mass838.82708440
Topological Polar Surface Area27.7 Ų
Heavy Atom Count58
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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sc-484711Diphenyl phosphite
sc-237256Tributyl phosphite
sc-237256ATributyl phosphite
sc-486012Diisobutyl Phosphite
sc-487974Trioleyl Phosphite

Alternative Products

CatalogName
MBS5784438Tristearyl citrate
T32175-01Tristearyl orthoformate
TRC-D477605-1GDimethyl Phosphite
591178Triphenyl phosphite
TRC-D418190-25GDibenzyl Phosphite
446862-01Diethyl Phosphite
TRC-T796495-25GTrimethyl Phosphite
TRC-T875055-10GTributyl Phosphite
TRC-D492245-50GDiphenyl Phosphite
RG-T180906-01Triethyl Phosphite

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