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124681-17-0 | D-Glucose, 2-deoxy-2-[[2-[(ethoxycarbonyl)oxy]-1-oxotetradecyl]amino]-
CAS No: 124681-17-0 Catalog No: AG000MMF MDL No:
Product Description
Catalog Number:
AG000MMF
Chemical Name:
D-Glucose, 2-deoxy-2-[[2-[(ethoxycarbonyl)oxy]-1-oxotetradecyl]amino]-
CAS Number:
124681-17-0
Molecular Formula:
C23H43NO9
Molecular Weight:
477.5888
IUPAC Name:
ethyl [14-oxo-14-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]tetradecyl] carbonate
InChI:
InChI=1S/C23H43NO9/c1-2-32-23(31)33-15-13-11-9-7-5-3-4-6-8-10-12-14-20(28)24-18(16-25)21(29)22(30)19(27)17-26/h16,18-19,21-22,26-27,29-30H,2-15,17H2,1H3,(H,24,28)/t18-,19+,21+,22+/m0/s1
InChI Key:
YZWZWIJBZCIDEU-YVNJGZBMSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)OC(=O)OCC
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
477.294g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
477.595g/mol
Monoisotopic Mass:
477.294g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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