Tìm theo
6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol
Thuốc Gốc
Small Molecule
CAS: 38231-86-6
CTHH: C7H13NO4
PTK: 175.1824
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
175.1824
Monoisotopic mass
175.084457909
InChI
InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6+,7-/m0/s1
InChI Key
InChIKey=XPHOBMULWMGEBA-WNJXEPBRSA-N
IUPAC Name
(1R,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Traditional IUPAC Name
(1R,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Độ hòa tan
3.42e+02 g/l
logP
-3.1
logS
0.29
pKa (strongest acidic)
12.83
pKa (Strongest Basic)
8.3
PSA
106.94 Å2
Refractivity
41.88 m3·mol-1
Polarizability
16.82 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
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