Sucrose fatty acid ester

Basic Info

FADB-China IDC0154
Substance NameEmulgator
Substance Chinese Name乳化剂
Molecular NameSucrose fatty acid ester
Molecular Chinese Name蔗糖脂肪酸酯
2D StructureNo image
CAS NumberNone
PubChem CID87575725
FormulaC30H38N3O+
IUPAC Name2-[2-tert-butyl-6-[1-(4,4,10,10-tetramethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-1-yl)ethenyl]-4H-pyran-3-ylidene]propanedinitrile
InChI KeyOBEAZDXGNSDRAR-UHFFFAOYSA-N
InChIInChI=1S/C30H38N3O/c1-20(25-13-12-22(21(18-31)19-32)27(34-25)28(2,3)4)33-16-14-29(5,6)23-10-9-11-24(26(23)33)30(7,8)15-17-33/h9-11,13,27H,1,12,14-17H2,2-8H3/q+1
Canonical SMILES

CC1(CC[N+]2(CCC(C3=CC=CC1=C32)(C)C)C(=C)C4=CCC(=C(C#N)C#N)C(O4)C(C)(C)C)C

Isomeric SMILES

CC1(CC[N+]2(CCC(C3=CC=CC1=C32)(C)C)C(=C)C4=CCC(=C(C#N)C#N)C(O4)C(C)(C)C)C

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesEmulsify
Molecular Synonyms
        
            SCHEMBL3794639
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight456.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity986
Monoisotopic Mass456.30148786
Exact Mass456.30148786
XLogP6.7
Formal Charge1
Heavy Atom Count34
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

Related Foods

FADB-China ID F0062
Food Image No Pictures
Food Name Pastry
Food Chinese Name 面点
Food Type Processed food
References List of food additives that may be easily abused in food (first batch)
FADB-China ID F0063
Food Image No Pictures
Food Name Mooncake
Food Chinese Name 月饼
Food Type Processed food
References List of food additives that may be easily abused in food (first batch)

References

TitleDOI/PubMed/ISSN
List of food additives that may be easily abused in food (first batch)