Home Carboxys 1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylicacid, (2S,3S,11S,12S)-

1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylicacid, (2S,3S,11S,12S)-

CAS No.:
73891-15-3
Catalog Number:
AG008POY
Molecular Formula:
C16H24O14
Molecular Weight:
440.3534
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Product Description
Catalog Number:
AG008POY
Chemical Name:
1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylicacid, (2S,3S,11S,12S)-
CAS Number:
73891-15-3
Molecular Formula:
C16H24O14
Molecular Weight:
440.3534
IUPAC Name:
(2S,3S,11S,12S)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
InChI:
InChI=1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-,11-,12-/m0/s1
InChI Key:
FZERLKNAJSFDSQ-BJDJZHNGSA-N
SMILES:
OC(=O)[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](OCCOCCO[C@@H]1C(=O)O)C(=O)O
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
440.117g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
440.354g/mol
Monoisotopic Mass:
440.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  
Properties