(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PY
Thuốc Gốc
Small Molecule
CTHH: C15H21NO4
PTK: 279.3315
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
279.3315
Monoisotopic mass
279.147058165
InChI
InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
InChI Key
InChIKey=YVABESCRHMBHJD-FUQNVFFISA-N
IUPAC Name
(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxo-hexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde
Traditional IUPAC Name
(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxo-tetrahydrofuro[2,3-c]pyrrole-6-carbaldehyde
SMILES
[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O
Độ hòa tan
2.09e+00 g/l
logP
0.22
logS
-2.1
pKa (strongest acidic)
10.76
pKa (Strongest Basic)
-2.1
PSA
75.63 Å2
Refractivity
73.39 m3·mol-1
Polarizability
28.77 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading