2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Oct
Thuốc Gốc
Small Molecule
CTHH: C46H70O
PTK: 639.0474
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C46H70O
Phân tử khối
639.0474
Monoisotopic mass
638.542666862
InChI
InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
InChI Key
InChIKey=VUNQJPPPTJIREN-CMAXTTDKSA-N
IUPAC Name
2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol
Traditional IUPAC Name
2-octaprenylphenol
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC=CC=C1O
Độ hòa tan
2.26e-04 g/l
logP
15.02
logS
-6.5
pKa (strongest acidic)
9.33
pKa (Strongest Basic)
-6
PSA
20.23 Å2
Refractivity
218.9 m3·mol-1
Polarizability
85.73 Å3
Rotatable Bond Count
23
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading