2,6-anhydro-3-deoxy-3-fluoronononic acid
Các tên gọi khác (2) :
- 2-keto-3-deoxy-d-glycero-d-galacto-3-fluoronononic acid
- 2,6-anhydro-3-deoxy-3-fluoro-l-arabino-d-galacto-nononic acid
Thuốc Gốc
Small Molecule
CTHH: C9H15FO8
PTK: 270.209
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15FO8
Phân tử khối
270.209
Monoisotopic mass
270.075095661
InChI
InChI=1S/C9H15FO8/c10-3-5(14)6(15)8(4(13)2(12)1-11)18-7(3)9(16)17/h2-8,11-15H,1H2,(H,16,17)/t2-,3-,4-,5+,6-,7+,8+/m1/s1
InChI Key
InChIKey=LYONSLFAVFDWPW-KVCYNOHXSA-N
IUPAC Name
(2R,3R,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Traditional IUPAC Name
(2R,3R,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES
OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H](F)[C@H](O)[C@H]1O)C(O)=O
Độ hòa tan
1.48e+02 g/l
logP
-3.2
logS
-0.26
pKa (strongest acidic)
3.57
pKa (Strongest Basic)
-3
PSA
147.68 Å2
Refractivity
50.96 m3·mol-1
Polarizability
22.6 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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