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139701-76-1 | Thymidine 5'-(trihydrogen diphosphate), 3'-deoxy-, P'-[2,3-bis[(1-oxododecyl)oxy]propyl] ester, (R)- (9CI)
CAS No: 139701-76-1 Catalog No: AG001BJ9 MDL No:
Product Description
Catalog Number:
AG001BJ9
Chemical Name:
Thymidine 5'-(trihydrogen diphosphate), 3'-deoxy-, P'-[2,3-bis[(1-oxododecyl)oxy]propyl] ester, (R)- (9CI)
CAS Number:
139701-76-1
IUPAC Name:
(1,2-dihydroxy-4-oxoheptadecan-3-yl) tetradecanoate;hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphanium
InChI:
InChI=1S/C31H60O5.C10H12N2O8P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(33)31(29(34)27-32)36-30(35)26-24-22-20-18-16-14-12-10-8-6-4-2;1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-22(17)20-21(15)16/h29,31-32,34H,3-27H2,1-2H3;4,7-8H,2-3,5H2,1H3/p+2/t;7-,8+/m.0/s1
InChI Key:
LOKRADXZIYTBML-JSTCDSMHSA-P
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
864.467g/mol
Formal Charge:
2
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
864.992g/mol
Monoisotopic Mass:
864.467g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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