PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID
Thuốc Gốc
Small Molecule
CTHH: C16H30N2O6
PTK: 346.4192
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H30N2O6
Phân tử khối
346.4192
Monoisotopic mass
346.210386702
InChI
InChI=1S/C16H30N2O6/c1-15(2,3)14(23)24-10-16(4,5)12(21)13(22)18-7-6-11(20)17-8-9-19/h12,19,21H,6-10H2,1-5H3,(H,17,20)(H,18,22)/t12-/m0/s1
InChI Key
InChIKey=BUEKNBNKVUKNIB-LBPRGKRZSA-N
IUPAC Name
(3R)-3-hydroxy-3-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl 2,2-dimethylpropanoate
Traditional IUPAC Name
(3R)-3-hydroxy-3-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILES
[H][C@](O)(C(=O)NCCC(=O)NCCO)C(C)(C)COC(=O)C(C)(C)C
Độ hòa tan
3.01e+00 g/l
logP
-0.39
logS
-2.1
pKa (strongest acidic)
12.68
pKa (Strongest Basic)
-1.5
PSA
124.96 Å2
Refractivity
87.38 m3·mol-1
Polarizability
37.02 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
5
H Bond Donor Count
4
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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