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SM-102

CAT: 0607-C1042-50Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0607-C1042-50Size:50 mg
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CAS Number
2089251-47-6
Product Name Alternative
heptadecan-9-yl 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)octanoate
Field of Research
Oligonucleotides Lipid-Based Drug Delivery
Purity
0.98
Solubility
insoluble in DMSO; ≥175.8 mg/mL in EtOH; insoluble in H2O
Smiles
CCCCCCCCC(CCCCCCCC)OC(CCCCCCCN(CCO)CCCCCC(OCCCCCCCCCCC)=O)=O
Molecular Formula
C44H87NO5
Molecular Weight
710.18
Shipping Conditions
Dry ice
Storage Conditions
Store at -20°C or below.

Chemical Information

SM-102
CAS Number2089251-47-6
PubChem CID126697616
IUPAC Nameheptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-undecoxyhexyl)amino]octanoate
Molecular FormulaC44H87NO5
Molecular Weight710.2
XLogP15.5
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count43
Heavy Atom Count50
Formal Charge0
Complexity686
SMILES
CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO
InChI
InChI=1S/C44H87NO5/c1-4-7-10-13-16-17-18-24-32-41-49-43(47)35-29-25-31-38-45(39-40-46)37-30-23-19-22-28-36-44(48)50-42(33-26-20-14-11-8-5-2)34-27-21-15-12-9-6-3/h42,46H,4-41H2,1-3H3
InChIKey
BGNVBNJYBVCBJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SM-102
CAS: 2089251-47-6
CID: 126697616
Formula: C44H87NO5
MW: 710.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight710.2
XLogP315.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count43
Exact Mass709.65842488
Monoisotopic Mass709.65842488
Topological Polar Surface Area76.1 Ų
Heavy Atom Count50
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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