Modified Ribosylated Glutamyl Ester
Thuốc Gốc
Small Molecule
CTHH: C10H18FNO8
PTK: 299.2502
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H18FNO8
Phân tử khối
299.2502
Monoisotopic mass
299.101644762
InChI
InChI=1S/C10H18FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-7,9,13-15,18H,1-3,12H2,(H,16,17)/t4-,5+,6-,7+,9+,10-/m0/s1
InChI Key
InChIKey=RIKLYUCLKNWIRM-IZLJMQPBSA-N
IUPAC Name
(2S,5S)-2-amino-5-{[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxypentanoic acid
Traditional IUPAC Name
(2S,5S)-2-amino-5-{[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxypentanoic acid
SMILES
N[C@@H](CC[C@@H](O)O[C@H]1O[C@H](CO)[C@@H](O)[C@@]1(O)F)C(O)=O
Độ hòa tan
1.91e+02 g/l
logP
-4.5
logS
-0.2
pKa (strongest acidic)
1.79
pKa (Strongest Basic)
9.28
PSA
162.7 Å2
Refractivity
59.23 m3·mol-1
Polarizability
27.14 Å3
Rotatable Bond Count
7
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
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