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143536-99-6 | (2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran
CAS No: 143536-99-6 Catalog No: AG003LO8 MDL No:MFCD06797131
Product Description
Catalog Number:
AG003LO8
Chemical Name:
(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran
CAS Number:
143536-99-6
Molecular Formula:
C41H42O7
Molecular Weight:
646.7680
MDL Number:
MFCD06797131
IUPAC Name:
(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
InChI:
InChI=1S/C41H42O7/c1-42-35-22-24-36(25-23-35)47-41-40(46-29-34-20-12-5-13-21-34)39(45-28-33-18-10-4-11-19-33)38(44-27-32-16-8-3-9-17-32)37(48-41)30-43-26-31-14-6-2-7-15-31/h2-25,37-41H,26-30H2,1H3/t37-,38+,39+,40-,41-/m1/s1
InChI Key:
QXYYOIDTAHLOQE-WQLDJJBGSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
646.293g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
646.78g/mol
Monoisotopic Mass:
646.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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