Pantothenyl-Aminoethanol-Acetate Pivalic Acid
Thuốc Gốc
Small Molecule
CTHH: C18H32N2O7
PTK: 388.4559
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H32N2O7
Phân tử khối
388.4559
Monoisotopic mass
388.220951388
InChI
InChI=1S/C18H32N2O7/c1-12(21)26-10-9-19-13(22)7-8-20-15(24)14(23)18(5,6)11-27-16(25)17(2,3)4/h14,23H,7-11H2,1-6H3,(H,19,22)(H,20,24)/t14-/m0/s1
InChI Key
InChIKey=MILJVOHYMMUVQM-AWEZNQCLSA-N
IUPAC Name
(3R)-3-[(2-{[2-(acetyloxy)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl 2,2-dimethylpropanoate
Traditional IUPAC Name
(3R)-3-[(2-{[2-(acetyloxy)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILES
CC(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C
Độ hòa tan
6.24e-01 g/l
logP
0.053
logS
-2.8
pKa (strongest acidic)
12.69
pKa (Strongest Basic)
-1.5
PSA
131.03 Å2
Refractivity
96.53 m3·mol-1
Polarizability
41.2 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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