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Sparsomycin

CAT: 0926-BAA40464-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BAA40464-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1404-64-4
Smiles
CC1=C (C (=O) NC (=O) N1) C=CC (=O) NC (CO) CS (=O) CSC
Molecular Formula
C13H19N3O5S2
Molecular Weight
361.4 g/mol
Controlled
No

Chemical Information

Sparsomycin

An antitumor antibiotic produced by Streptomyces sparsogenes. It inhibits protein synthesis in 70S and 80S ribosomal systems.

CAS Number1404-64-4
PubChem CID9543443
IUPAC Name(E)-N-[(2S)-1-hydroxy-3-[(R)-methylsulfanylmethylsulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Molecular FormulaC13H19N3O5S2
Molecular Weight361.4
XLogP-1.7
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity574
SMILES
CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC
InChI
InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1
InChIKey
XKLZIVIOZDNKEQ-CLQLPEFOSA-N
Chemical Structure
2D Structure
2D structure of Sparsomycin
CAS: 1404-64-4
CID: 9543443
Formula: C13H19N3O5S2
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass361.07661306
Monoisotopic Mass361.07661306
Topological Polar Surface Area169 Ų
Heavy Atom Count23
Formal Charge0
Complexity574
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

Alternative Products

CatalogName
AR-S01841-01Sparsomycin

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