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69567-11-9 | Deoxynojirimycin Tetrabenzyl Ether
CAS No: 69567-11-9 Catalog No: AG005KSB MDL No:MFCD11113146
Product Description
Catalog Number:
AG005KSB
Chemical Name:
Deoxynojirimycin Tetrabenzyl Ether
CAS Number:
69567-11-9
Molecular Formula:
C34H37NO4
Molecular Weight:
523.6619
MDL Number:
MFCD11113146
IUPAC Name:
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
InChI:
InChI=1S/C34H37NO4/c1-5-13-27(14-6-1)22-36-26-31-33(38-24-29-17-9-3-10-18-29)34(39-25-30-19-11-4-12-20-30)32(21-35-31)37-23-28-15-7-2-8-16-28/h1-20,31-35H,21-26H2/t31-,32+,33-,34-/m1/s1
InChI Key:
HHIIDKLQTCPFQA-KMKAFXEASA-N
SMILES:
c1ccc(cc1)CO[C@@H]1[C@@H](COCc2ccccc2)NC[C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
523.272g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
523.673g/mol
Monoisotopic Mass:
523.272g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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