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Trehalose 6-behenate 5mg

CAT: 0628-A19878-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19878-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66755-19-9

Chemical Information

Trehalose 6-behenate
CAS Number66755-19-9
PubChem CID134694987
IUPAC Name[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl docosanoate
Molecular FormulaC34H64O12
Molecular Weight664.9
XLogP6.4
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count46
Formal Charge0
Complexity772
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C34H64O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(36)43-23-25-28(38)30(40)32(42)34(45-25)46-33-31(41)29(39)27(37)24(22-35)44-33/h24-25,27-35,37-42H,2-23H2,1H3/t24-,25-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
InChIKey
NJZWDNHQMKEBGD-JXLWDPPOSA-N
Chemical Structure
2D Structure
2D structure of Trehalose 6-behenate
CAS: 66755-19-9
CID: 134694987
Formula: C34H64O12
MW: 664.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight664.9
XLogP36.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass664.43977747
Monoisotopic Mass664.43977747
Topological Polar Surface Area196 Ų
Heavy Atom Count46
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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