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Decaglycerin

CAT: 0926-JAA04107-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-JAA04107-02Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
9041-07-0
Smiles
C1CC1C2=C (N=C (O2) C3CC3) CC (=O) O
Molecular Formula
C30H62O21
Molecular Weight
758.8 g/mol
Controlled
No

Chemical Information

Decaglycerol
CAS Number9041-07-0
PubChem CID111835
IUPAC Name3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
Molecular FormulaC30H62O21
Molecular Weight758.8
XLogP-8.6
Topological Polar Surface Area326
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count38
Heavy Atom Count51
Formal Charge0
Complexity686
SMILES
C(C(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H62O21/c31-1-21(33)3-43-5-23(35)7-45-9-25(37)11-47-13-27(39)15-49-17-29(41)19-51-20-30(42)18-50-16-28(40)14-48-12-26(38)10-46-8-24(36)6-44-4-22(34)2-32/h21-42H,1-20H2
InChIKey
WOKDXPHSIQRTJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decaglycerol
CAS: 9041-07-0
CID: 111835
Formula: C30H62O21
MW: 758.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight758.8
XLogP3-8.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count38
Exact Mass758.37835898
Monoisotopic Mass758.37835898
Topological Polar Surface Area326 Ų
Heavy Atom Count51
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-D904100-10GDecaglycerin

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