[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C11H23O5P
PTK: 266.2711
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H23O5P
Phân tử khối
266.2711
Monoisotopic mass
266.128310358
InChI
InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1
InChI Key
InChIKey=OMENZZONRIXNPG-HJGDQZAQSA-N
IUPAC Name
[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid
Traditional IUPAC Name
(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctylphosphinic acid
SMILES
[H][C@](C)(CO)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C[P@@]([H])(O)=O
Độ hòa tan
4.31e+00 g/l
logP
0.017
logS
-1.8
pKa (strongest acidic)
2.09
pKa (Strongest Basic)
-1.8
PSA
94.83 Å2
Refractivity
65.33 m3·mol-1
Polarizability
26.85 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
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