(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
Thuốc Gốc
Small Molecule
CTHH: C21H30O5
PTK: 362.4599
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
362.4599
Monoisotopic mass
362.20932407
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI Key
InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N
IUPAC Name
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
Traditional IUPAC Name
hydrocortisone
SMILES
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Độ hòa tan
1.99e-01 g/l
logP
1.28
logS
-3.3
pKa (strongest acidic)
12.58
pKa (Strongest Basic)
-2.8
PSA
94.83 Å2
Refractivity
97.4 m3·mol-1
Polarizability
39.55 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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