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Dibutyl 3-Hydroxybutyl Phosphate-D18

CAT: 0572-TRC-D428161-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D428161-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89197-69-3
Synonyms
TBP-OH
Hazard Statement
No Data Available
Smiles
CCCCOP(=O)(OCCCC)OCCC(C)O
Molecular Formula
C12H27O5P
Molecular Weight
282.31
Shipping Conditions
Room Temperature

Chemical Information

4-Dibutoxyphosphoryloxybutan-2-ol
CAS Number89197-69-3
PubChem CID187696
IUPAC Namedibutyl 3-hydroxybutyl phosphate
Molecular FormulaC12H27O5P
Molecular Weight282.31
XLogP2.1
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity221
SMILES
CCCCOP(=O)(OCCCC)OCCC(C)O
InChI
InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3
InChIKey
LJBNHONKIDIOPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Dibutoxyphosphoryloxybutan-2-ol
CAS: 89197-69-3
CID: 187696
Formula: C12H27O5P
MW: 282.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass282.15961096
Monoisotopic Mass282.15961096
Topological Polar Surface Area65 Ų
Heavy Atom Count18
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes