S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C10H20O6P2S
PTK: 330.275
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H20O6P2S
Phân tử khối
330.275
Monoisotopic mass
330.045582086
InChI
InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-
InChI Key
InChIKey=AKIXWSDUEPPMKM-YFHOEESVSA-N
IUPAC Name
[({[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]sulfanyl}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]sulfanyl(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
CC(C)=CCC\C(C)=C/CS[P@@](O)(=O)OP(O)(=O)O
Độ hòa tan
1.40e+00 g/l
logP
2.45
logS
-2.4
pKa (strongest acidic)
2.03
PSA
104.06 Å2
Refractivity
79.43 m3·mol-1
Polarizability
30.34 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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