Basic information
- CAS
2649096-15-9- Standard SMILES
[2H]C([2H])([2H])CCCCc1cc(O)cc(O)c1[C@@H]1C=C(C)CC[C@H]1C(=C)C- InChIKey
YWEZXUNAYVCODW-ORDZOMCNSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.24341043
Names & identifiers
- Preferred name
- Abnormal Cannabidiol-D3
- IUPAC
- 4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(5,5,5-trideuteriopentyl)benzene-1,3-diol
- English name
- Abnormal Cannabidiol-d3
- Molecular formula
- C21H27D3O2
- Molecular weight
- 317.48
Names & synonyms
Abnormal Cannabidiol-D32649096-15-9DTXSID4013560284-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(5,5,5-trideuteriopentyl)benzene-1,3-diol4-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-(5,5,5-trideuteriopentyl)benzene-1,3-diol
Database identifiers
- CAS
2649096-15-9- PubChem CID
- 71684591
- DTXSID
DTXSID401356028
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 446.373 · 446.373±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.025 · 1.025±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- 50 mg/mlDMSO: · DMF: 50 mg/mlDMSO: 60 mg/mlDMSO: PBS (pH 7.2)(1:3): 0.25 mg/mlEthanol: 35 mg/ml
- pka
- 9.945 · 9.945±0.45(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
Chemistry & industry
Applications
DescriptionAbnormal cannabidiol-d3 (Item No. 10009523) is intended for use as an internal standard for the quantification of abnormal cannabidiol (Item No. 10004259) by GC- or LC-MS. Abnormal cannabidiol is structurally similar to known phytocannabinoids. It is a bioproduct in the synthesis of cannabidiol.1 Abnormal cannabidiol is not found in Cannabis and has been used as an internal standard for the detection of cannabinoids in hemp extracts.2 This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use.
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
CAYMAN[email protected]
Cayman Chemical Company[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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