Tìm theo
Tubercidin
Các tên gọi khác (6 ) :
  • 7-deazaadenosine
  • 7-Deazadenosine
  • Sparsomycin A
  • TBN
  • Toyocamycin
  • Tubercidine
antibiotics antineoplastic, antimetabolites antineoplastic
Thuốc Gốc
Small Molecule
CAS: 69-33-0
CTHH: C11H14N4O4
PTK: 266.2533
An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14N4O4
Phân tử khối
266.2533
Monoisotopic mass
266.101504956
InChI
InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8+,11+/m0/s1
InChI Key
InChIKey=HDZZVAMISRMYHH-LITAXDCLSA-N
IUPAC Name
(2R,3R,4R,5S)-2-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Traditional IUPAC Name
tubercidin
SMILES
NC1=NC=NC2=C1C=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
Độ hòa tan
3000 mg/L
logP
-0.80
logS
-1.2
pKa (strongest acidic)
12.46
pKa (Strongest Basic)
7.2
PSA
126.65 Å2
Refractivity
65.37 m3·mol-1
Polarizability
25.6 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03172
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936593
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505938
PharmGKB
http://www.pharmgkb.org/drug/PA152530738
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