Tìm theo
BVDU-MP
Các tên gọi khác (1) :
  • BVP
Thuốc Gốc
Small Molecule
CTHH: C11H14BrN2O8P
PTK: 413.115
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14BrN2O8P
Phân tử khối
413.115
Monoisotopic mass
411.967114593
InChI
InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9-/m1/s1
InChI Key
InChIKey=LKWCVKAHHUJPQO-UDGIAEMFSA-N
IUPAC Name
{[(2S,3R,5R)-5-{5-[(E)-2-bromoethenyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,5R)-5-{5-[(E)-2-bromoethenyl]-2,4-dioxo-3H-pyrimidin-1-yl}-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
Br\C=C\C1=CN(C(=O)NC1=O)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1
Độ hòa tan
3.97e+00 g/l
logP
-0.62
logS
-2
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
-3.2
PSA
145.63 Å2
Refractivity
78.55 m3·mol-1
Polarizability
32.35 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
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