Limaprost

CAT: 0127-BUP20831-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20831-02Size:5 mg

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

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CAS Number

890016-39-4

Synonyms

17a,20-dimethyl-d2-PGE1 , OP1206 , ONO1206

Purity

=98%

Smiles

[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCCC1SSCC1

Chemical Information

Lipoamido-PEG3-Azide

CAS Number	890016-39-4
PubChem CID	86580393
IUPAC Name	N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-5-(dithiolan-3-yl)pentanamide
Molecular Formula	C16H30N4O4S2
Molecular Weight	406.6
XLogP	1.9
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	17
Heavy Atom Count	26
Formal Charge	0
Complexity	412

SMILES

C1CSSC1CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-]

InChI

InChI=1S/C16H30N4O4S2/c17-20-19-7-9-23-11-13-24-12-10-22-8-6-18-16(21)4-2-1-3-15-5-14-25-26-15/h15H,1-14H2,(H,18,21)

InChIKey

QRVGYUXHOQKUHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 890016-39-4

CID: 86580393

Formula: C16H30N4O4S2

MW: 406.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.6
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	17
Exact Mass	406.17084780
Monoisotopic Mass	406.17084780
Topological Polar Surface Area	122 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	412
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes