Tìm theo
(5r,6s,7s,8s)-5-Hydroxymethyl-6,7,8-Trihydroxy-Tetrazolo[1,5-a]Piperidine
Thuốc Gốc
Small Molecule
CTHH: C6H10N4O4
PTK: 202.168
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
202.168
Monoisotopic mass
202.070204828
InChI
InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m0/s1
InChI Key
InChIKey=UCJXQRFJERKPOZ-KLVWXMOXSA-N
IUPAC Name
(5S,6S,7R,8R)-5-(hydroxymethyl)-5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol
Traditional IUPAC Name
nojirimycine tetrazole
SMILES
OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)C2=NN=NN12
Độ hòa tan
4.78e+01 g/l
logP
-3.2
logS
-0.63
pKa (strongest acidic)
12.05
pKa (Strongest Basic)
-1.9
PSA
124.52 Å2
Refractivity
55.34 m3·mol-1
Polarizability
17.39 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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