PUROMYCIN
Thuốc Gốc
Small Molecule
CTHH: C22H29N7O5
PTK: 471.5096
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
471.5096
Monoisotopic mass
471.223017073
InChI
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
InChI Key
InChIKey=RXWNCPJZOCPEPQ-NVWDDTSBSA-N
IUPAC Name
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
Traditional IUPAC Name
puromycin
SMILES
[H][C@](N)(CC1=CC=C(OC)C=C1)C(=O)N[C@]1([H])[C@@]([H])(CO)O[C@@]([H])(N2C=NC3=C(N=CN=C23)N(C)C)[C@]1([H])O
Độ hòa tan
1.01e+00 g/l
logP
-0.3
logS
-2.7
pKa (strongest acidic)
12.35
pKa (Strongest Basic)
8.03
PSA
160.88 Å2
Refractivity
122.96 m3·mol-1
Polarizability
49.46 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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