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C34

CAT: 0607-B4925-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B4925-25Size:25 mg
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Description
TLR4 inhibitor
CAS Number
40592-88-9
Product Name Alternative
(2R,3S,4R,5R,6S)-5-acetamido-2-(acetoxymethyl)-6-isopropoxytetrahydro-2H-pyran-3,4-diyl diacetate
Field of Research
Stem Cell HSC
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CC(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O
Molecular Formula
C17H27NO9
Molecular Weight
389.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Tlr4-IN-C34
CAS Number40592-88-9
PubChem CID91691128
IUPAC Name[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-propan-2-yloxyoxan-2-yl]methyl acetate
Molecular FormulaC17H27NO9
Molecular Weight389.4
XLogP-0.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity563
SMILES
CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI
InChI=1S/C17H27NO9/c1-8(2)24-17-14(18-9(3)19)16(26-12(6)22)15(25-11(5)21)13(27-17)7-23-10(4)20/h8,13-17H,7H2,1-6H3,(H,18,19)/t13-,14-,15-,16-,17+/m1/s1
InChIKey
KMIQMFHPUJUDMC-HHARLNAUSA-N
Chemical Structure
2D Structure
2D structure of Tlr4-IN-C34
CAS: 40592-88-9
CID: 91691128
Formula: C17H27NO9
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass389.16858144
Monoisotopic Mass389.16858144
Topological Polar Surface Area126 Ų
Heavy Atom Count27
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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