Tìm theo
6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One
Thuốc Gốc
Small Molecule
CTHH: C19H22O4
PTK: 314.3756
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
314.3756
Monoisotopic mass
314.151809192
InChI
InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
InChI Key
InChIKey=JCDLLLXYAICSQV-INIZCTEOSA-N
IUPAC Name
(7S)-7-(2-hydroxypropan-2-yl)-3-(2-methylbut-3-en-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one
Traditional IUPAC Name
(7S)-7-(2-hydroxypropan-2-yl)-3-(2-methylbut-3-en-2-yl)-6H,7H-furo[3,2-g]chromen-2-one
SMILES
[H][C@]1(CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C)C(C)(C)O
Độ hòa tan
2.20e-02 g/l
logP
3.3
logS
-4.2
pKa (strongest acidic)
14.3
pKa (Strongest Basic)
-3.1
PSA
55.76 Å2
Refractivity
88.97 m3·mol-1
Polarizability
35.05 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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