Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose
Thuốc Gốc
Small Molecule
CTHH: C13H24O11
PTK: 356.3231
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
356.3231
Monoisotopic mass
356.13186161
InChI
InChI=1S/C13H24O11/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9-,10-,11+,12-,13+/m0/s1
InChI Key
InChIKey=WOKXHOIRHHAHDA-SFEDKXFNSA-N
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Độ hòa tan
5.70e+02 g/l
logP
-4.1
logS
0.2
pKa (strongest acidic)
11.94
pKa (Strongest Basic)
-3
PSA
178.53 Å2
Refractivity
73.09 m3·mol-1
Polarizability
33.77 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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