Pantothenoylaminoethenethiol
Thuốc Gốc
Small Molecule
CTHH: C11H20N2O4S
PTK: 276.353
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H20N2O4S
Phân tử khối
276.353
Monoisotopic mass
276.114377828
InChI
InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5+/t9-/m0/s1
InChI Key
InChIKey=GVPONLWGQFZYSV-CYNONHLPSA-N
IUPAC Name
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(2-{[(E)-2-sulfanylethenyl]carbamoyl}ethyl)butanamide
Traditional IUPAC Name
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(2-{[(E)-2-sulfanylethenyl]carbamoyl}ethyl)butanamide
SMILES
OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)N\C=C\S
Độ hòa tan
2.20e-01 g/l
logP
-1.6
logS
-3.1
pKa (strongest acidic)
8.47
pKa (Strongest Basic)
-2.8
PSA
98.66 Å2
Refractivity
70.12 m3·mol-1
Polarizability
28.69 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading