Tìm theo
Guanosine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CAS: 146-91-8
CTHH: C10H15N5O11P2
PTK: 443.2005
A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N5O11P2
Phân tử khối
443.2005
Monoisotopic mass
443.024329371
InChI
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6+,9+/m0/s1
InChI Key
InChIKey=QGWNDRXFNXRZMB-BZKDHIKHSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@@H]2O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]2O)C(=O)N1
Độ hòa tan
4.44e+00 g/l
logP
-3.5
logS
-2
pKa (strongest acidic)
1.97
pKa (Strongest Basic)
1.35
PSA
248.28 Å2
Refractivity
86.37 m3·mol-1
Polarizability
35.23 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04315
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6453837
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508144
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00035
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194149
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