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Tripropyl phosphate-d21

CAT: 0804-HY-W012351S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W012351S-01Size:5 mg
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Description
Tripropyl phosphate-d21 is the deuterium labeled Tripropyl phosphate[1].
CAS Number
1219794-92-9
Product Name Alternative
Tris (1-propyl) phosphate-d21
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.01
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O
Molecular Formula
C9D21O4P
Molecular Weight
245.36
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Tri-n-propyl-d21 phosphate
CAS Number1219794-92-9
PubChem CID131869251
IUPAC Nametris(1,1,2,2,3,3,3-heptadeuteriopropyl) phosphate
Molecular FormulaC9H21O4P
Molecular Weight245.36
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity144
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2
InChIKey
RXPQRKFMDQNODS-JPWMFWTESA-N
Chemical Structure
2D Structure
2D structure of Tri-n-propyl-d21 phosphate
CAS: 1219794-92-9
CID: 131869251
Formula: C9H21O4P
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass245.24955781
Monoisotopic Mass245.24955781
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity144
Isotope Atom Count21
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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