1,2-Di-N-Pentanoyl-Sn-Glycero-3-Dithiophosphocholine
Thuốc Gốc
Small Molecule
CTHH: C18H36NO6PS2
PTK: 457.585
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
457.585
Monoisotopic mass
457.172165781
InChI
InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1
InChI Key
InChIKey=WEXRBKRFCBLWEL-MRXNPFEDSA-N
IUPAC Name
[(6S,9R)-2,2-dimethyl-9,10-bis(pentanoyloxy)-6-sulfanylidene-5,7-dioxa-2-aza-6$l^{5}-phosphadecan-2-ium-6-yl]sulfanide
Traditional IUPAC Name
[(6S,9R)-2,2-dimethyl-9,10-bis(pentanoyloxy)-6-sulfanylidene-5,7-dioxa-2-aza-6$l^{5}-phosphadecan-2-ium-6-yl]sulfanide
SMILES
CCCCC(=O)OC[C@H](CO[P@@]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC
Độ hòa tan
1.75e-04 g/l
logP
-0.031
logS
-6.5
pKa (strongest acidic)
1.35
pKa (Strongest Basic)
-6.7
PSA
71.06 Å2
Refractivity
130.62 m3·mol-1
Polarizability
48.58 Å3
Rotatable Bond Count
18
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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