Tìm theo
Sparsomycin
Thuốc Gốc
Small Molecule
CTHH: C13H19N3O5S2
PTK: 361.437
An antitumor antibiotic produced by Streptomyces sparsogenes. It inhibits protein synthesis in 70S and 80S ribosomal systems. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H19N3O5S2
Phân tử khối
361.437
Monoisotopic mass
361.076612113
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
InChI Key
InChIKey=XKLZIVIOZDNKEQ-CLQLPEFOSA-N
IUPAC Name
(2E)-N-[(2S)-1-hydroxy-3-[(R)-[(methylsulfanyl)methane]sulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide
Traditional IUPAC Name
(2E)-N-[(2S)-1-hydroxy-3-[(R)-(methylsulfanyl)methanesulfinyl]propan-2-yl]-3-(4-methyl-2,6-dioxo-1,3-dihydropyrimidin-5-yl)prop-2-enamide
SMILES
CSC[S@](=O)C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O
Độ hòa tan
1.59e+00 g/l
logP
-2.5
logS
-2.4
pKa (strongest acidic)
9.93
pKa (Strongest Basic)
1.66
PSA
124.6 Å2
Refractivity
91.67 m3·mol-1
Polarizability
35.53 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04222
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9543443
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505251
... loading
... loading