O-(2-Acetamido-2-Deoxy-Alpha-D-Galactopyranosyl)-L-Serine
Thuốc Gốc
Small Molecule
CTHH: C11H20N2O8
PTK: 308.2851
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
308.2851
Monoisotopic mass
308.121965626
InChI
InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8+,9+,11-/m1/s1
InChI Key
InChIKey=REDMNGDGDYFZRE-MPXQLOKASA-N
IUPAC Name
(2R)-2-amino-3-{[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
Traditional IUPAC Name
(2R)-2-amino-3-{[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
SMILES
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC[C@@H](N)C(O)=O
Độ hòa tan
8.20e+01 g/l
logP
-5.9
logS
-0.58
pKa (strongest acidic)
1.8
pKa (Strongest Basic)
8.82
PSA
171.57 Å2
Refractivity
65.56 m3·mol-1
Polarizability
28.74 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading