Tìm theo
(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
Thuốc Gốc
Small Molecule
CTHH: C17H34O6P2
PTK: 396.3958
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
396.3958
Monoisotopic mass
396.183061844
InChI
InChI=1S/C17H34O6P2/c1-3-5-7-9-11-13-15-17(24(18,19)20,25(21,22)23)16-14-12-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,18,19,20)(H2,21,22,23)/b13-11+,14-12+
InChI Key
InChIKey=PFKBXXKNHWTTCS-PHEQNACWSA-N
IUPAC Name
[(6E,11E)-9-phosphonoheptadeca-6,11-dien-9-yl]phosphonic acid
Traditional IUPAC Name
(6E,11E)-9-phosphonoheptadeca-6,11-dien-9-ylphosphonic acid
SMILES
CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O
Độ hòa tan
1.57e+00 g/l
logP
4.06
logS
-2.4
pKa (strongest acidic)
1.15
PSA
115.06 Å2
Refractivity
104.19 m3·mol-1
Polarizability
41.54 Å3
Rotatable Bond Count
14
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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