3'-Azido-3'-Deoxythymidine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N5O10P2
PTK: 427.2011
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N5O10P2
Phân tử khối
427.2011
Monoisotopic mass
427.029414749
InChI
InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=QOYVAFWJURKBJG-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}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2R,3R,5R)-3-azido-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@](O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
6.79e+00 g/l
logP
-0.84
logS
-1.8
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-4.2
PSA
201.36 Å2
Refractivity
83.45 m3·mol-1
Polarizability
33.74 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
10
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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