4'-Phosphopantetheine
Thuốc Gốc
Small Molecule
CTHH: C11H23N2O7PS
PTK: 358.348
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H23N2O7PS
Phân tử khối
358.348
Monoisotopic mass
358.096358302
InChI
InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChI Key
InChIKey=JDMUPRLRUUMCTL-VIFPVBQESA-N
IUPAC Name
[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid
Traditional IUPAC Name
(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxyphosphonic acid
SMILES
CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
Độ hòa tan
3.75e-01 g/l
logP
-1.7
logS
-3
pKa (strongest acidic)
1.79
pKa (Strongest Basic)
-1.5
PSA
145.19 Å2
Refractivity
81.58 m3·mol-1
Polarizability
34.34 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
6
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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