[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate
Thuốc Gốc
Small Molecule
CTHH: C10H14N6O6S
PTK: 346.32
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N6O6S
Phân tử khối
346.32
Monoisotopic mass
346.0695529
InChI
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=GNZLUJQJDPRUTD-FCIPNVEPSA-N
IUPAC Name
[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COS(N)(=O)=O)[C@H](O)[C@H]1O
Độ hòa tan
5.93e+00 g/l
logP
-2.6
logS
-1.8
pKa (strongest acidic)
11.3
pKa (Strongest Basic)
4.99
PSA
188.7 Å2
Refractivity
74.72 m3·mol-1
Polarizability
31.11 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
0
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