Tìm theo
Di(N-Acetyl-D-Glucosamine)
Thuốc Gốc
Small Molecule
CTHH: C16H28N2O11
PTK: 424.4003
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H28N2O11
Phân tử khối
424.4003
Monoisotopic mass
424.169309748
InChI
InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12-,13-,14+,15-,16+/m1/s1
InChI Key
InChIKey=CDOJPCSDOXYJJF-OSJSAICRSA-N
IUPAC Name
N-[(2R,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Traditional IUPAC Name
N-[(2R,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Độ hòa tan
1.11e+02 g/l
logP
-5.3
logS
-0.58
pKa (strongest acidic)
11.5
pKa (Strongest Basic)
-3
PSA
207.27 Å2
Refractivity
90.54 m3·mol-1
Polarizability
40.45 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
11
H Bond Donor Count
8
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03013
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936555
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505382
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