3'-Azido-3'-Deoxythymidine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H14N5O7P
PTK: 347.2212
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N5O7P
Phân tử khối
347.2212
Monoisotopic mass
347.063084339
InChI
InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=OIFWQOKDSPDILA-GJMOJQLCSA-N
IUPAC Name
{[(2R,3R,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3R,5R)-3-azido-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](N=[N+]=[N-])[C@H](COP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
2.84e+00 g/l
logP
-0.42
logS
-2.1
pKa (strongest acidic)
1.26
pKa (Strongest Basic)
-4.2
PSA
154.83 Å2
Refractivity
72.58 m3·mol-1
Polarizability
29.28 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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