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220017-47-0 | (3S,4S,5R,6R)-6-((Pivaloyloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(2,2-dimethylpropanoate)
CAS No: 220017-47-0 Catalog No: AG003D9O MDL No:
Product Description
Catalog Number:
AG003D9O
Chemical Name:
(3S,4S,5R,6R)-6-((Pivaloyloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(2,2-dimethylpropanoate)
CAS Number:
220017-47-0
Molecular Formula:
C31H52O11
Molecular Weight:
600.7380
IUPAC Name:
[(2R,3R,4S,5S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C31H52O11/c1-27(2,3)22(32)37-16-17-18(39-23(33)28(4,5)6)19(40-24(34)29(7,8)9)20(41-25(35)30(10,11)12)21(38-17)42-26(36)31(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20+,21?/m1/s1
InChI Key:
PLXCBOJERHYNCS-AUGMSIGLSA-N
SMILES:
O=C(C(C)(C)C)O[C@@H]1[C@@H](COC(=O)C(C)(C)C)OC([C@H]([C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
600.351g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
600.746g/mol
Monoisotopic Mass:
600.351g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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