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(R) -FTY-720 Vinylphosphonate

CAT: 0013-GTR19209287-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209287-01Size:25 mg
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Description
(R) -FTY-720 Vinylphosphonate
CAS Number
1142015-25-5
Smiles
C (C[C@@] (/C=C/P (=O) (O) O) (CO) N) C1=CC=C (CCCCCCCC) C=C1
Molecular Formula
C20H34NO4P
Molecular Weight
383.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-FTY-720 Vinylphosphonate
CAS Number1142015-25-5
PubChem CID42611952
IUPAC Name[(E,3R)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enyl]phosphonic acid
Molecular FormulaC20H34NO4P
Molecular Weight383.5
XLogP0.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity443
SMILES
CCCCCCCCC1=CC=C(C=C1)CC[C@](CO)(/C=C/P(=O)(O)O)N
InChI
InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,15-16,22H,2-8,13-14,17,21H2,1H3,(H2,23,24,25)/b16-15+/t20-/m1/s1
InChIKey
YWQUROWPKWKDNA-UHPIZROJSA-N
Chemical Structure
2D Structure
2D structure of (R)-FTY-720 Vinylphosphonate
CAS: 1142015-25-5
CID: 42611952
Formula: C20H34NO4P
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass383.22254556
Monoisotopic Mass383.22254556
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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