Tween 85

Catalog	DGS9005703
CAS	9005-70-3
Synonyms	Polyoxyethylene sorbitan trioleate
IUPAC Name	methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
Molecular Weight	1019.56
Molecular Formula	C62H114O10
InChI	InChI=1S/C14H13NO6S2/c1-19-14(16)13-12(4-5-22-13)23(17,18)15-7-9-2-3-10-11(6-9)21-8-20-10/h2-6,15H,7-8H2,1H3
InChI Key	KPCLPBLTPXDOIR-UHFFFAOYSA-N
Boiling Point	100 °C
Melting Point	-20 °C
Density	1.02 g/mL
Appearance	Liquid
Complexity	534
EC Number	618-422-4
Exact Mass	355.01842948
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3
MDL Number	MFCD01779641
Monoisotopic Mass	355.01842948
Rotatable Bond Count	6
Storage Conditions	Room temperature
Topological Polar Surface Area	128 Ų
XLogP3-AA	2.1