[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
Thuốc Gốc
Small Molecule
CTHH: C12H23O5P
PTK: 278.2818
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
278.2818
Monoisotopic mass
278.128310358
InChI
InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
InChI Key
InChIKey=BUTLRPVAJSANIT-NSHDSACASA-N
IUPAC Name
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}(hex-5-en-1-yl)phosphinic acid
Traditional IUPAC Name
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy(hex-5-en-1-yl)phosphinic acid
SMILES
[H][C@@]1(CO[P@](O)(=O)CCCCC=C)COC(C)(C)O1
Độ hòa tan
9.50e+00 g/l
logP
1.72
logS
-1.5
pKa (strongest acidic)
1.36
pKa (Strongest Basic)
-4.1
PSA
64.99 Å2
Refractivity
69.37 m3·mol-1
Polarizability
28.87 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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