Tìm theo
Cyclic Guanosine Monophosphate
Các tên gọi khác (1) :
  • Guanosine-3',5'-monophosphate
Thuốc Gốc
Small Molecule
CAS: 7665-99-8
CTHH: C10H12N5O7P
PTK: 345.2053
A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H12N5O7P
Phân tử khối
345.2053
Monoisotopic mass
345.047434275
InChI
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5+,6+,9+/m1/s1
InChI Key
InChIKey=ZOOGRGPOEVQQDX-KHLHZJAASA-N
IUPAC Name
9-[(4aR,6S,7S,7aR)-2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl]-2-amino-6,9-dihydro-1H-purin-6-one
Traditional IUPAC Name
9-[(4aR,6S,7S,7aR)-2,7-dihydroxy-2-oxo-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
SMILES
NC1=NC2=C(N=CN2[C@H]2O[C@@H]3CO[P@](O)(=O)O[C@@H]3[C@@H]2O)C(=O)N1
Độ hòa tan
3.79e+00 g/l
logP
-2.1
logS
-2
pKa (strongest acidic)
2.05
pKa (Strongest Basic)
1.41
PSA
170.52 Å2
Refractivity
71.71 m3·mol-1
Polarizability
29.14 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02315
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936347
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508914
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00942
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