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12-O-Methylsordariol

CAT: 0931-T125463-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125463-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1938054-84-2
Target
Others
Related Pathways
Others
Bioactivity
12-O-Methylsordariol is a useful organic compound for research related to life sciences. The catalog number is T125463 and the CAS number is 1938054-84-2.
Smiles
COCc1c(O)cccc1\C=C\[C@@H](O)[C@H](C)O
Molecular Formula
C13H18O4
Molecular Weight
238.283
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12-O-Methylsordariol
CAS Number1938054-84-2
PubChem CID132542735
IUPAC Name(E,2S,3R)-5-[3-hydroxy-2-(methoxymethyl)phenyl]pent-4-ene-2,3-diol
Molecular FormulaC13H18O4
Molecular Weight238.28
XLogP0.8
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity242
SMILES
C[C@@H]([C@@H](/C=C/C1=C(C(=CC=C1)O)COC)O)O
InChI
InChI=1S/C13H18O4/c1-9(14)12(15)7-6-10-4-3-5-13(16)11(10)8-17-2/h3-7,9,12,14-16H,8H2,1-2H3/b7-6+/t9-,12+/m0/s1
InChIKey
OACLBOXVALMZFJ-IUPBQIPNSA-N
Chemical Structure
2D Structure
2D structure of 12-O-Methylsordariol
CAS: 1938054-84-2
CID: 132542735
Formula: C13H18O4
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass238.12050905
Monoisotopic Mass238.12050905
Topological Polar Surface Area69.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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