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(S) -VB 201

CAT: 0931-T84307-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T84307-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936227-77-9
Target
Others
Related Pathways
Others
Purity
0.9753
Bioactivity
(S) -VB 201 is the S-enantiomer of VB 201.VB 201 oxidizes lipid compounds, has anti-inflammatory activity, and can be used for inflammation caused by coronavirus infection.
Smiles
[C@@H](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

(S)-2-(4-Carboxybutoxy)-3-(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
CAS Number936227-77-9
PubChem CID87331339
IUPAC Name[(2S)-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
CCCCCCCCCCCCCCCCOC[C@@H](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)/t28-/m0/s1
InChIKey
JGGNOCUEWOGWPL-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(4-Carboxybutoxy)-3-(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
CAS: 936227-77-9
CID: 87331339
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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