5-Amino-5-Deoxy-Cellobiono-1,5-Lactam
Thuốc Gốc
Small Molecule
CTHH: C12H23NO10
PTK: 341.3117
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H23NO10
Phân tử khối
341.3117
Monoisotopic mass
341.132195961
InChI
InChI=1S/C12H23NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-21H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10+,11+,12+/m0/s1
InChI Key
InChIKey=ABKILQNIPWRUHO-IHLXQJDHSA-N
IUPAC Name
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-5-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}piperidine-2,3,4-triol
Traditional IUPAC Name
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-5-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}piperidine-2,3,4-triol
SMILES
OC[C@@H]1N[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
3.66e+02 g/l
logP
-5
logS
0.03
pKa (strongest acidic)
11.98
pKa (Strongest Basic)
7.03
PSA
192.33 Å2
Refractivity
70.02 m3·mol-1
Polarizability
31.89 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
11
H Bond Donor Count
9
Physiological Charge
1
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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