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Mal-RP

CAT: 0013-GTR19198914-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198914-02Size:100 mg
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Description
Mal-RP
CAS Number
1485456-25-4
Smiles
O=C1C=CC (=O) N1CCC (=O) NCCOCCOCCNC (=O) CCCC#C
Molecular Formula
C19H27N3O6
Molecular Weight
393.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-rp
CAS Number1485456-25-4
PubChem CID76849918
IUPAC NameN-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]hex-5-ynamide
Molecular FormulaC19H27N3O6
Molecular Weight393.4
XLogP-1.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count28
Formal Charge0
Complexity604
SMILES
C#CCCCC(=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C19H27N3O6/c1-2-3-4-5-16(23)20-9-12-27-14-15-28-13-10-21-17(24)8-11-22-18(25)6-7-19(22)26/h1,6-7H,3-5,8-15H2,(H,20,23)(H,21,24)
InChIKey
WQKZLKOTTXAESQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-rp
CAS: 1485456-25-4
CID: 76849918
Formula: C19H27N3O6
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass393.18998559
Monoisotopic Mass393.18998559
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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