Tìm theo
Udp-Alpha-D-Xylopyranose
Thuốc Gốc
Small Molecule
CTHH: C14H22N2O16P2
PTK: 536.2758
The decarboxylation product of UDPglucuronic acid, which is used for formation of the xylosides of seryl hydroxyl groups in mucoprotein synthesis. Also forms plant xylans. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H22N2O16P2
Phân tử khối
536.2758
Monoisotopic mass
536.04445569
InChI
InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8-,9-,10+,11+,12+,13-/m0/s1
InChI Key
InChIKey=DQQDLYVHOTZLOR-NNFAFSNNSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphosphinic acid
SMILES
O[C@H]1[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
Độ hòa tan
1.36e+01 g/l
logP
-4.4
logS
-1.6
pKa (strongest acidic)
1.73
pKa (Strongest Basic)
-3.5
PSA
271.31 Å2
Refractivity
100.49 m3·mol-1
Polarizability
43.77 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
8
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01713
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936197
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508749
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