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124681-22-7 | D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]-
CAS No: 124681-22-7 Catalog No: AG000MME MDL No:
Product Description
Catalog Number:
AG000MME
Chemical Name:
D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxododecyl)amino]-
CAS Number:
124681-22-7
Molecular Formula:
C18H35NO7
Molecular Weight:
377.4730
IUPAC Name:
3-hydroxy-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]dodecanamide
InChI:
InChI=1S/C18H35NO7/c1-2-3-4-5-6-7-8-9-13(22)10-16(24)19-14(11-20)17(25)18(26)15(23)12-21/h11,13-15,17-18,21-23,25-26H,2-10,12H2,1H3,(H,19,24)/t13?,14-,15+,17+,18+/m0/s1
InChI Key:
ZSPOMVMMJMVHAN-AGJUIOJISA-N
SMILES:
CCCCCCCCCC(CC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
377.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
377.478g/mol
Monoisotopic Mass:
377.241g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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