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20744-60-9 | D-Arabinononitrile, 2,3,4,5-tetrabenzoate
CAS No: 20744-60-9 Catalog No: AG002J1T MDL No:
Product Description
Catalog Number:
AG002J1T
Chemical Name:
D-Arabinononitrile, 2,3,4,5-tetrabenzoate
CAS Number:
20744-60-9
Molecular Formula:
C33H25NO8
Molecular Weight:
563.5535
IUPAC Name:
(2,3,4-tribenzoyloxy-4-cyanobutyl) benzoate
InChI:
InChI=1S/C33H25NO8/c34-21-27(40-31(36)24-15-7-2-8-16-24)29(42-33(38)26-19-11-4-12-20-26)28(41-32(37)25-17-9-3-10-18-25)22-39-30(35)23-13-5-1-6-14-23/h1-20,27-29H,22H2
InChI Key:
QCXXHDVDQZZPSK-UHFFFAOYSA-N
SMILES:
N#C[C@H]([C@@H]([C@H](OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
948
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.158g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
563.562g/mol
Monoisotopic Mass:
563.158g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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