6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H23NO3S3
PTK: 313.5
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H23NO3S3
Phân tử khối
313.5
Monoisotopic mass
313.084005677
InChI
InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m1/s1
InChI Key
InChIKey=BFRWEULQQALYNZ-SNVBAGLBSA-N
IUPAC Name
(6R)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid
Traditional IUPAC Name
(6R)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid
SMILES
NCSCC[C@@H](CCCCC(O)=O)SSCCO
Độ hòa tan
5.05e-02 g/l
logP
-1.1
logS
-3.8
pKa (strongest acidic)
4.06
pKa (Strongest Basic)
8.33
PSA
83.55 Å2
Refractivity
82.81 m3·mol-1
Polarizability
34.54 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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