Tìm theo
Threonine Derivative
Thuốc Gốc
Small Molecule
CTHH: C15H18I2N2O6
PTK: 576.1222
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H18I2N2O6
Phân tử khối
576.1222
Monoisotopic mass
575.925423158
InChI
InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11-,12-/m1/s1
InChI Key
InChIKey=TWMKRGDZEJLDDH-JPWUCKPDSA-N
IUPAC Name
(2R,3R)-2-[(2R)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]-3-hydroxybutanoic acid
Traditional IUPAC Name
threonine derivative
SMILES
C[C@@H](O)[C@@H](NC(=O)[C@@H](CC1=CC(I)=C(O)C(I)=C1)NC(C)=O)C(O)=O
Độ hòa tan
1.58e-01 g/l
logP
1.28
logS
-3.6
pKa (strongest acidic)
2.57
pKa (Strongest Basic)
-1.4
PSA
135.96 Å2
Refractivity
106.53 m3·mol-1
Polarizability
42.71 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
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