SK1-I

CAT: 0607-BA6261-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6261-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1072443-89-0

Form

A solid

Molecular Formula

C17H27NO2

Molecular Weight

277.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

SK1-I

CAS Number	1072443-89-0
PubChem CID	44815217
IUPAC Name	(E,2R,3S)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol
Molecular Formula	C17H27NO2
Molecular Weight	277.4
XLogP	3.1
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	20
Formal Charge	0
Complexity	260

SMILES

CCCCCC1=CC=C(C=C1)/C=C/[C@@H]([C@@H](CO)NC)O

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1

InChIKey

JYEXUQKROPHSEF-SFDDJJRUSA-N

Chemical Structure

2D Structure

CAS: 1072443-89-0

CID: 44815217

Formula: C17H27NO2

MW: 277.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.4
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	277.204179104
Monoisotopic Mass	277.204179104
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes