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BML-111

CAT: 0013-GTR19201488-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201488-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BML-111
CAS Number
78606-80-1
Field of Research
Immunology & Inflammation, Neuroscience
Purity
>98%
Bioactivity
LXA agonist; Antiinflammatory ativity
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 25 mg/ml)
Smiles
COC (=O) CCC[C@H] (O) [C@H] (O) CO
Molecular Formula
C8H16O5
Molecular Weight
192.2
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(5S,6R) -Methyl 5,6,7-trihydroxyheptanoate

Chemical Information

(5S,6R)-Methyl 5,6,7-trihydroxyheptanoate
CAS Number78606-80-1
PubChem CID10899465
IUPAC Namemethyl (5S,6R)-5,6,7-trihydroxyheptanoate
Molecular FormulaC8H16O5
Molecular Weight192.21
XLogP-1.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
COC(=O)CCC[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C8H16O5/c1-13-8(12)4-2-3-6(10)7(11)5-9/h6-7,9-11H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
RNMFWAFZUNVQOR-NKWVEPMBSA-N
Chemical Structure
2D Structure
2D structure of (5S,6R)-Methyl 5,6,7-trihydroxyheptanoate
CAS: 78606-80-1
CID: 10899465
Formula: C8H16O5
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass192.09977361
Monoisotopic Mass192.09977361
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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