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BPH-1218

CAT: 0013-GTR19200533-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200533-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BPH-1218
CAS Number
1426824-36-3
Field of Research
Infectious Disease & Virology
Smiles
C (C (P (=O) ([O-]) O) P (=O) (O) O) [N+]1=CN (CCCCCCCCCC) C=C1
Molecular Formula
C15H30N2O6P2
Molecular Weight
396.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydrogen [(1s)-2-(3-Decyl-1h-Imidazol-3-Ium-1-Yl)-1-Phosphonoethyl]phosphonate
CAS Number1426824-36-3
PubChem CID71624313
IUPAC Name[2-(3-decylimidazol-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate
Molecular FormulaC15H30N2O6P2
Molecular Weight396.36
XLogP0.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity465
SMILES
CCCCCCCCCCN1C=C[N+](=C1)CC(P(=O)(O)O)P(=O)(O)[O-]
InChI
InChI=1S/C15H30N2O6P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(24(18,19)20)25(21,22)23/h11-12,14-15H,2-10,13H2,1H3,(H3-,18,19,20,21,22,23)
InChIKey
GYTSEUQBLYSXFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydrogen [(1s)-2-(3-Decyl-1h-Imidazol-3-Ium-1-Yl)-1-Phosphonoethyl]phosphonate
CAS: 1426824-36-3
CID: 71624313
Formula: C15H30N2O6P2
MW: 396.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.36
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass396.15791068
Monoisotopic Mass396.15791068
Topological Polar Surface Area127 Ų
Heavy Atom Count25
Formal Charge0
Complexity465
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

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