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Terrestriamide

CAT: 0013-GTR19260127-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260127-02Size:50 mg
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Description
Terrestriamide
CAS Number
157536-49-7
Purity
>98% (HPLC)
Molecular Formula
C18H17NO5
Molecular Weight
327.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Terrestriamide

Terrestriamide is an aromatic ketone.

CAS Number157536-49-7
PubChem CID5321824
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide
Molecular FormulaC18H17NO5
Molecular Weight327.3
XLogP2.3
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H17NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,20-21H,11H2,1H3,(H,19,23)/b9-3+
InChIKey
QIPDEXHJCVHMKQ-YCRREMRBSA-N
Chemical Structure
2D Structure
2D structure of Terrestriamide
CAS: 157536-49-7
CID: 5321824
Formula: C18H17NO5
MW: 327.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.3
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass327.11067264
Monoisotopic Mass327.11067264
Topological Polar Surface Area95.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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