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Azido-FTY720

CAT: 0013-GTR19191512-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191512-01Size:100 µg
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Description
Azido-FTY720
CAS Number
881914-35-8
Field of Research
Pharmacology & Drug Discovery
Smiles
[N-]=[N+]=NC1=CC (=CC=C1CCCCCCCC) CCC (N) (CO) CO
Molecular Formula
C19H32N4O2
Molecular Weight
348.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Amino-2-[2-(3-azido-4-octylphenyl)ethyl]-1,3-propanediol
CAS Number881914-35-8
PubChem CID11508523
IUPAC Name2-amino-2-[2-(3-azido-4-octylphenyl)ethyl]propane-1,3-diol
Molecular FormulaC19H32N4O2
Molecular Weight348.5
XLogP5.1
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity395
SMILES
CCCCCCCCC1=C(C=C(C=C1)CCC(CO)(CO)N)N=[N+]=[N-]
InChI
InChI=1S/C19H32N4O2/c1-2-3-4-5-6-7-8-17-10-9-16(13-18(17)22-23-21)11-12-19(20,14-24)15-25/h9-10,13,24-25H,2-8,11-12,14-15,20H2,1H3
InChIKey
FLPFGLNTCQQHNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2-[2-(3-azido-4-octylphenyl)ethyl]-1,3-propanediol
CAS: 881914-35-8
CID: 11508523
Formula: C19H32N4O2
MW: 348.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.5
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass348.25252628
Monoisotopic Mass348.25252628
Topological Polar Surface Area80.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity395
Isotope Atom Count0
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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