Biliverdine Ix Alpha
Thuốc Gốc
Small Molecule
CAS: 114-25-0
CTHH: C33H33N4O6
PTK: 581.6383
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C33H33N4O6
Phân tử khối
581.6383
Monoisotopic mass
581.240009808
IUPAC Name
3-[(2Z)-2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methylpyrrol-2-yl]methylidene}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid
Traditional IUPAC Name
3-[(2Z)-2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-4-methylpyrrol-2-yl]methylidene}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-4-methylpyrrol-3-yl]propanoic acid
SMILES
CC1=C(C=C)\C(NC1=O)=C\C1=N\C(=C/c2nc(\C=C3\NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)\C(CCC(O)=O)=C1C
Độ tan chảy
>300 °C
Độ hòa tan
1.28e-02 g/l
logP
0.084
logS
-4.7
pKa (strongest acidic)
3.65
pKa (Strongest Basic)
6.04
PSA
158.05 Å2
Refractivity
167.45 m3·mol-1
Polarizability
63.38 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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