Tìm theo
1-Deoxy-D-xylulose 5-phosphate
Thuốc Gốc
Small Molecule
CAS: 190079-18-6
CTHH: C5H11O7P
PTK: 214.1104
1-Deoxy-D-xylulose 5-phosphate is a solid. This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The proteins that 1-Deoxy-D-xylulose 5-phosphate targets include 1-Deoxy-D-xylulose 5-phosphate reductoisomerase and pyridoxine 5'-phosphate synthase. 1-Deoxy-D-xylulose 5-phosphate is an intermediate in the non-mevalonate pathway.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C5H11O7P
Phân tử khối
214.1104
Monoisotopic mass
214.024239218
InChI
InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
InChI Key
InChIKey=AJPADPZSRRUGHI-RFZPGFLSSA-N
IUPAC Name
{[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid
SMILES
CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
Độ hòa tan
2.76e+01 g/l
logP
-1.9
logS
-0.89
pKa (strongest acidic)
1.48
pKa (Strongest Basic)
-3.6
PSA
124.29 Å2
Refractivity
40.77 m3·mol-1
Polarizability
17.18 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02496
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=443201
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506007
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11437
ChemSpider
http://www.chemspider.com/Chemical-Structure.621.html
Wikipedia
http://en.wikipedia.org/wiki/1-Deoxy-D-xylulose_5-phosphate
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