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Bis (butoxyethyl) phosphate-d8

CAT: 0804-HY-W653928Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W653928Size:1 mg
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Description
Bis (butoxyethyl) phosphate-d8 is a deuterium labeled Bis (butoxyethyl) phosphate.
CAS Number
2305665-16-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
CCCCOC([2H])([2H])C([2H])([2H])OP(OC([2H])([2H])C([2H])([2H])OCCCC)(O)=O
Molecular Formula
C12H19D8O6P
Molecular Weight
306.36
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Bis(butoxyethyl) Phosphate-d8
CAS Number2305665-16-9
PubChem CID169434566
IUPAC Namebis(2-butoxy-1,1,2,2-tetradeuterioethyl) hydrogen phosphate
Molecular FormulaC12H27O6P
Molecular Weight306.36
XLogP1.2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity216
SMILES
[2H]C([2H])(C([2H])([2H])OP(=O)(O)OC([2H])([2H])C([2H])([2H])OCCCC)OCCCC
InChI
InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)/i9D2,10D2,11D2,12D2
InChIKey
NNXWIPHZHATIFE-PMCMNDOISA-N
Chemical Structure
2D Structure
2D structure of Bis(butoxyethyl) Phosphate-d8
CAS: 2305665-16-9
CID: 169434566
Formula: C12H27O6P
MW: 306.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.36
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass306.20473954
Monoisotopic Mass306.20473954
Topological Polar Surface Area74.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity216
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T207366-01Bis (butoxyethyl) phosphate-d8
TRC-B415127-10MGBis(butoxyethyl) Phosphate-d8
TRC-B410817-10MGBis(butoxyethyl)chlorophosphate-d8
4164352-Butoxyethyl Phosphate
442885-01Bis (butoxyethyl) Phosphate
TRC-B415125-100MGBis(butoxyethyl) Phosphate
558591Tri(2-butoxyethyl) phosphate
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