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Photoclick sphingosine

CAT: 0926-YXC02114Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-YXC02114Size:1 mg
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CAS Number
1823021-14-2
Smiles
OC[C@@] (N) ([H]) [C@] ([H]) (O) /C=C/CCCCCCCCC1 (N=N1) CCCC#C
Molecular Formula
C19H33N3O2
Molecular Weight
335.48 g/mol
Controlled
No

Chemical Information

PhotoClick Sphingosine
CAS Number1823021-14-2
PubChem CID136212880
IUPAC Name(E,2S,3R)-2-amino-13-(3-pent-4-ynyldiazirin-3-yl)tridec-4-ene-1,3-diol
Molecular FormulaC19H33N3O2
Molecular Weight335.5
XLogP3.4
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity433
SMILES
C#CCCCC1(N=N1)CCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C19H33N3O2/c1-2-3-11-14-19(21-22-19)15-12-9-7-5-4-6-8-10-13-18(24)17(20)16-23/h1,10,13,17-18,23-24H,3-9,11-12,14-16,20H2/b13-10+/t17-,18+/m0/s1
InChIKey
CNCJUDANJBAFRY-WOKGBUJHSA-N
Chemical Structure
2D Structure
2D structure of PhotoClick Sphingosine
CAS: 1823021-14-2
CID: 136212880
Formula: C19H33N3O2
MW: 335.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass335.25727730
Monoisotopic Mass335.25727730
Topological Polar Surface Area91.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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