Products for Research Use Only
RegisterLogin

Malonomicin

CAT: 0926-NBA24971-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-NBA24971-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
38249-71-7
MDL Number
MFCD01939885
Smiles
CC (C) (C) OC (=O) NCC (=O) NCOC
Molecular Formula
C13H18N4O9
Molecular Weight
374.30 g/mol
Controlled
No

Chemical Information

Malonomicin

Malonomicin is a dipeptide.

CAS Number38249-71-7
PubChem CID54684011
IUPAC Name2-[(2-amino-3-hydroxypropanoyl)amino]-2-[2-[2-(aminomethyl)-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl]-2-oxoethyl]propanedioic acid
Molecular FormulaC13H18N4O9
Molecular Weight374.30
XLogP-9.1
Topological Polar Surface Area242
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity673
SMILES
C(C1C(=C(C(=O)N1)C(=O)CC(C(=O)O)(C(=O)O)NC(=O)C(CO)N)O)N
InChI
InChI=1S/C13H18N4O9/c14-2-5-8(20)7(10(22)16-5)6(19)1-13(11(23)24,12(25)26)17-9(21)4(15)3-18/h4-5,18,20H,1-3,14-15H2,(H,16,22)(H,17,21)(H,23,24)(H,25,26)
InChIKey
IPQOAJQXCZEYLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malonomicin
CAS: 38249-71-7
CID: 54684011
Formula: C13H18N4O9
MW: 374.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.30
XLogP3-9.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass374.10737816
Monoisotopic Mass374.10737816
Topological Polar Surface Area242 Ų
Heavy Atom Count26
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T124924-01Malonomicin

Popular Products