5-N-Acetyl-4-Amino-6-Diethylcarboxamide-4,5-Dihydro-2h-Pyran-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C13H23N3O5
PTK: 301.3388
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
301.3388
Monoisotopic mass
301.163770861
InChI
InChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h8-11H,4-6,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,9-,10+,11+/m1/s1
InChI Key
InChIKey=BULFTXGJKXVMER-ZNSHCXBVSA-N
IUPAC Name
(2R,4R,5S,6S)-4-amino-6-(diethylcarbamoyl)-5-acetamidooxane-2-carboxylic acid
Traditional IUPAC Name
(2R,4R,5S,6S)-4-amino-6-(diethylcarbamoyl)-5-acetamidooxane-2-carboxylic acid
SMILES
CCN(CC)C(=O)[C@H]1O[C@H](C[C@@H](N)[C@@H]1NC(C)=O)C(O)=O
Độ hòa tan
4.13e+01 g/l
logP
-4.2
logS
-0.86
pKa (strongest acidic)
3.63
pKa (Strongest Basic)
9.1
PSA
121.96 Å2
Refractivity
73.37 m3·mol-1
Polarizability
30.69 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
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