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133294-73-2 | Thymidine, 3'-deoxy-3'-[(diethoxyphosphinyl)methyl]- (9CI)
CAS No: 133294-73-2 Catalog No: AG0014JZ MDL No:
Product Description
Catalog Number:
AG0014JZ
Chemical Name:
Thymidine, 3'-deoxy-3'-[(diethoxyphosphinyl)methyl]- (9CI)
CAS Number:
133294-73-2
Molecular Formula:
C15H25N2O7P
Molecular Weight:
376.3420
IUPAC Name:
1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H25N2O7P/c1-4-22-25(21,23-5-2)9-11-6-13(24-12(11)8-18)17-7-10(3)14(19)16-15(17)20/h7,11-13,18H,4-6,8-9H2,1-3H3,(H,16,19,20)/t11-,12-,13-/m1/s1
InChI Key:
AKJFHBPMGJVTBL-JHJVBQTASA-N
SMILES:
CCOP(=O)(C[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O)OCC
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
376.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.346g/mol
Monoisotopic Mass:
376.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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