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Chemistry

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Also known as:
Molecular Formula
C24H46O7
Molecular Weight
446.6  g/mol
InChI Key
NIIYKVPCZQCVPB-UHFFFAOYSA-N

Sorbitan Sesquioleate API
1 2D Structure

Sorbitan Sesquioleate API

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1,2-dihydroxyethyl)oxolane-3,4-diol;octadec-9-enoic acid
2.1.2 InChI
InChI=1S/C18H34O2.C6H12O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-1-3(8)6-5(10)4(9)2-11-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-10H,1-2H2
2.1.3 InChI Key
NIIYKVPCZQCVPB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)O.C1C(C(C(O1)C(CO)O)O)O
2.2 Create Date
2012-07-12
3 Chemical and Physical Properties
Molecular Weight 446.6 g/mol
Molecular Formula C24H46O7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass446.32435380 g/mol
Monoisotopic Mass446.32435380 g/mol
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count2

API SUPPLIERS

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