Tìm theo
S-Hexylglutathione
Thuốc Gốc
Small Molecule
CTHH: C16H30N3O6S
PTK: 392.491
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H30N3O6S
Phân tử khối
392.491
Monoisotopic mass
392.185531397
InChI
InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12+/m0/s1
InChI Key
InChIKey=HXJDWCWJDCOHDG-NWDGAFQWSA-O
IUPAC Name
(1S)-1-carboxy-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(hexylsulfanyl)ethyl]carbamoyl}propan-1-aminium
Traditional IUPAC Name
(1S)-1-carboxy-3-{[(1S)-1-(carboxymethylcarbamoyl)-2-(hexylsulfanyl)ethyl]carbamoyl}propan-1-aminium
SMILES
CCCCCCSC[C@@H](NC(=O)CC[C@H]([NH3+])C(O)=O)C(=O)NCC(O)=O
Độ hòa tan
2.00e-02 g/l
logP
-2.4
logS
-4.3
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
9.31
PSA
160.44 Å2
Refractivity
108.18 m3·mol-1
Polarizability
42.16 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
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