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Isomer-VB 201

CAT: 0931-T29099-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29099-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
873842-97-8
Target
Others
Related Pathways
Others
Bioactivity
VB-201, a Toll-like receptor-2 (TLR-2) antagonist, is used potentially for the treatment of atherosclerosis.
Smiles
C(COP(OCC[N+](C)(C)C)(=O)[O-])(COCCCCCCCCCCCCCCCC)OCCCCC(O)=O
Molecular Formula
C29H60NO8P
Molecular Weight
581.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[2-(4-Carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS Number873842-97-8
PubChem CID24857795
IUPAC Name[2-(4-carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC29H60NO8P
Molecular Weight581.8
XLogP6.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity606
SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
InChI
InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)
InChIKey
JGGNOCUEWOGWPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(4-Carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS: 873842-97-8
CID: 24857795
Formula: C29H60NO8P
MW: 581.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.8
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Exact Mass581.40565487
Monoisotopic Mass581.40565487
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19196204-01Isomer-VB 201
HY-N9541Chaetoglobosin Vb
MBS5784522VB 11328
GTR19219922VB 201
GTR19258188-01VB-85247
MBS3603463VB-82252
HY-101132VB-201
308614-01CA VB
MBS6013115-01Myosin VB, NT (MYO5B, KIAA1119, Myosin-Vb)
221233-01CA VB (Carbonic Anhydrase 5B, Mitochondrial, Carbonate dehydratase VB, Carbonic Anhydrase VB, CA-VB, CAVB, CA5B) discontinued

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