Tìm theo
(6r,1'r,2's)-5,6,7,8 Tetrahydrobiopterin
Thuốc Gốc
Small Molecule
CTHH: C9H15N5O3
PTK: 241.2471
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15N5O3
Phân tử khối
241.2471
Monoisotopic mass
241.117489371
InChI
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6+/m1/s1
InChI Key
InChIKey=FNKQXYHWGSIFBK-KODRXGBYSA-N
IUPAC Name
(6R)-2-amino-6-[(1R,2R)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one
Traditional IUPAC Name
(6R)-2-amino-6-[(1R,2R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILES
C[C@@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)=N2
Độ hòa tan
2.03e+00 g/l
logP
-2.3
logS
-2.1
pKa (strongest acidic)
11.12
pKa (Strongest Basic)
4.61
PSA
132 Å2
Refractivity
68.63 m3·mol-1
Polarizability
23.72 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
2
Bioavailability
1
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