Tìm theo
1-(Isopropylthio)-Beta-Galactopyranside
Thuốc Gốc
Small Molecule
CAS: 367-93-1
CTHH: C9H18O5S
PTK: 238.301
A non-metabolizable galactose analog that induces expression of the LAC operon. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H18O5S
Phân tử khối
238.301
Monoisotopic mass
238.087494376
InChI
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChI Key
InChIKey=BPHPUYQFMNQIOC-ZEBDFXRSSA-N
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(propan-2-ylsulfanyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(isopropylsulfanyl)oxane-3,4,5-triol
SMILES
CC(C)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Độ tan chảy
121 °C
Độ hòa tan
1.28e+02 g/l
logP
-1.26
logS
-0.27
pKa (strongest acidic)
12.48
pKa (Strongest Basic)
-3
PSA
90.15 Å2
Refractivity
56.06 m3·mol-1
Polarizability
24.41 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01862
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2802070
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506884
ChemSpider
http://www.chemspider.com/Chemical-Structure.480698.html
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