FTY720 (S) -Phosphate 50mg

CAT: 0628-A21324-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A21324-50Size:50 mg

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CAS Number

402616-26-6

Chemical Information

1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, 1-(dihydrogen phosphate), (2S)-

CAS Number	402616-26-6
PubChem CID	11452022
IUPAC Name	[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular Formula	C19H34NO5P
Molecular Weight	387.5
XLogP	0.8
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Heavy Atom Count	26
Formal Charge	0
Complexity	409

SMILES

CCCCCCCCC1=CC=C(C=C1)CC[C@](CO)(COP(=O)(O)O)N

InChI

InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1

InChIKey

LRFKWQGGENFBFO-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 402616-26-6

CID: 11452022

Formula: C19H34NO5P

MW: 387.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.5
XLogP3	0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	387.21746018
Monoisotopic Mass	387.21746018
Topological Polar Surface Area	113 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A21324-5	FTY720 (S) -Phosphate 5mg
A21324-100	FTY720 (S) -Phosphate 100mg
A21324-10	FTY720 (S) -Phosphate 10mg
A21324-1	FTY720 (S) -Phosphate 1mg
A21324-25	FTY720 (S) -Phosphate 25mg
A10408-50	FTY720 (Fingolimod) 50mg
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