Phosphoramidon
Thuốc Gốc
Small Molecule
CAS: 36357-77-4
CTHH: C23H33N3O10P
PTK: 542.496
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H33N3O10P
Phân tử khối
542.496
Monoisotopic mass
542.190355803
InChI
InChI=1S/C23H33N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16+,17+,18-,19+,20-,23+/m0/s1
InChI Key
InChIKey=BWSDNRQVTFZQQD-AYVHNPTNSA-N
IUPAC Name
(2R)-2-[(2R)-2-{[hydroxy({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]amino}-4-methylpentanamido]-3-(indol-3-yl)propanoic acid
Traditional IUPAC Name
(2R)-2-[(2R)-2-({hydroxy[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl}amino)-4-methylpentanamido]-3-(indol-3-yl)propanoic acid
SMILES
CC(C)C[C@@H](N[P@](O)(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](Cc1cnc2ccccc12)C(O)=O
Độ hòa tan
8.39e-01 g/l
logP
-2
logS
-2.8
pKa (strongest acidic)
2.48
pKa (Strongest Basic)
5.19
PSA
207.77 Å2
Refractivity
127.43 m3·mol-1
Polarizability
51.59 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
10
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading