8,9,10-Trihydroxy-7-Hydroxymethyl-2-Thioxo-6-Oxa-1,3-Diaza-Spiro[4.5]Decan-4-One
Thuốc Gốc
Small Molecule
CTHH: C8H12N2O6S
PTK: 264.256
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H12N2O6S
Phân tử khối
264.256
Monoisotopic mass
264.041606816
InChI
InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8-/m1/s1
InChI Key
InChIKey=OEWLGQKSTDZKFN-UXDJRKLDSA-N
IUPAC Name
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-sulfanylidene-6-oxa-1,3-diazaspiro[4.5]decan-4-one
Traditional IUPAC Name
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-sulfanylidene-6-oxa-1,3-diazaspiro[4.5]decan-4-one
SMILES
OC[C@H]1O[C@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
1.62e+01 g/l
logP
-2.4
logS
-1.2
pKa (strongest acidic)
9.21
pKa (Strongest Basic)
-3
PSA
131.28 Å2
Refractivity
56.96 m3·mol-1
Polarizability
23.69 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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