2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H14N2O10P2
PTK: 384.1731
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
384.1731
Monoisotopic mass
384.012367702
InChI
InChI=1S/C10H14N2O10P2/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-24(18,19)22-23(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChI Key
InChIKey=LXCAIISEDMYORY-JGVFFNPUSA-N
IUPAC Name
{[hydroxy({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Traditional IUPAC Name
{hydroxy[(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphoryl}oxyphosphonic acid
SMILES
CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O
Độ hòa tan
4.53e+00 g/l
logP
-0.78
logS
-1.9
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-4.2
PSA
171.93 Å2
Refractivity
77.06 m3·mol-1
Polarizability
30.35 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
4
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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