1,4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5-Enyl)Amino)Fructose
Thuốc Gốc
Small Molecule
CTHH: C13H23NO7
PTK: 305.3242
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
305.3242
Monoisotopic mass
305.147452095
InChI
InChI=1S/C13H23NO7/c1-5-9(12(19)8(16)4-21-5)14-7-2-6(3-15)10(17)13(20)11(7)18/h2,5,7-20H,3-4H2,1H3/t5-,7-,8+,9+,10-,11-,12-,13+/m1/s1
InChI Key
InChIKey=LTAGIBUDYBSPEG-HCDBHUNCSA-N
IUPAC Name
(1R,2S,3R,6R)-6-{[(2R,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]amino}-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Traditional IUPAC Name
(1R,2S,3R,6R)-6-{[(2R,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]amino}-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
SMILES
C[C@H]1OC[C@H](O)[C@@H](O)[C@H]1N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O
Độ hòa tan
1.64e+02 g/l
logP
-3.7
logS
-0.27
pKa (strongest acidic)
12.65
pKa (Strongest Basic)
7.04
PSA
142.64 Å2
Refractivity
71.75 m3·mol-1
Polarizability
29.99 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
8
H Bond Donor Count
7
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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