6-Hydro-1-Methyladenosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H18N5O7P
PTK: 363.2637
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
363.2637
Monoisotopic mass
363.094384467
InChI
InChI=1S/C11H18N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-9,11,17-18H,2,12H2,1H3,(H2,19,20,21)/t5-,7-,8+,9-,11+/m0/s1
InChI Key
InChIKey=PXQPOBTUNIUPSD-MUWJYTSDSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-[(6S)-6-amino-1-methyl-6,9-dihydro-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-[(6S)-6-amino-1-methyl-6H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
CN1C=NC2=C(N=CN2[C@@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]2O)[C@H]1N
Độ hòa tan
3.97e+00 g/l
logP
-2.7
logS
-2
pKa (strongest acidic)
1.45
pKa (Strongest Basic)
7.13
PSA
175.89 Å2
Refractivity
79.48 m3·mol-1
Polarizability
32.5 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading