Tìm theo
Quinonoid 7,8-Tetrahydrobiopterin
Thuốc Gốc
Small Molecule
CAS: 79647-29-3
CTHH: C9H13N5O3
PTK: 239.2312
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
239.2312
Monoisotopic mass
239.101839307
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4-,6+/m1/s1
InChI Key
InChIKey=ZHQJVZLJDXWFFX-KODRXGBYSA-N
IUPAC Name
(6R)-2-amino-6-[(1R,2R)-1,2-dihydroxypropyl]-4,6,7,8-tetrahydropteridin-4-one
Traditional IUPAC Name
(6R)-2-amino-6-[(1R,2R)-1,2-dihydroxypropyl]-7,8-dihydro-6H-pteridin-4-one
SMILES
C[C@@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1
Độ hòa tan
1.42e+00 g/l
logP
-2.1
logS
-2.2
pKa (strongest acidic)
13.3
pKa (Strongest Basic)
3.47
PSA
132.66 Å2
Refractivity
57.03 m3·mol-1
Polarizability
22.98 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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