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1-Hydroxyphenanthrene-d9

CAT: 0804-HY-W587426SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W587426SSize:1 mg
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Description
1-Hydroxyphenanthrene-d9 is a deuterium labeled compound.
CAS Number
922510-23-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
OC1=C([2H])C([2H])=C([2H])C2=C3C(C([2H])=C([2H])C([2H])=C3[2H])=C([2H])C([2H])=C12
Molecular Formula
C14HD9O
Molecular Weight
203.28
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-246.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Phenanthrol-d9
CAS Number922510-23-4
PubChem CID131668258
IUPAC Name2,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-1-ol
Molecular FormulaC14H10O
Molecular Weight203.28
XLogP4.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C(=C3O)[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
GTBXZWADMKOZQJ-LOIXRAQWSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenanthrol-d9
CAS: 922510-23-4
CID: 131668258
Formula: C14H10O
MW: 203.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.28
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass203.129655652
Monoisotopic Mass203.129655652
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes