Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
Thuốc Gốc
Small Molecule
CTHH: C13H24O10S
PTK: 372.389
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
372.389
Monoisotopic mass
372.109017678
InChI
InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5+,6+,7-,8-,9+,10+,11-,12-,13-/m0/s1
InChI Key
InChIKey=WAYOKHSZGNFKSX-JGVJERAOSA-N
IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
3.69e+02 g/l
logP
-3.6
pKa (strongest acidic)
12.34
pKa (Strongest Basic)
-3
PSA
169.3 Å2
Refractivity
79.23 m3·mol-1
Polarizability
35.9 Å3
logS
0
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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