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1311473-28-5

1311473-28-5 | D-arabino-Hexonic acid, O-6-deoxy-3-O-methyl-β-D-galactopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-, δ-lactone

CAS No: 1311473-28-5 Catalog No: AG000VLU MDL No:

Product Description

Catalog Number:
AG000VLU
Chemical Name:
D-arabino-Hexonic acid, O-6-deoxy-3-O-methyl-β-D-galactopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-, δ-lactone
CAS Number:
1311473-28-5
Molecular Formula:
C35H60O17
Molecular Weight:
752.8407
IUPAC Name:
(4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
InChI:
InChI=1S/C35H60O17/c1-15-28(37)34(43-10)29(38)35(48-15)52-33-19(5)47-27(14-23(33)42-9)51-32-18(4)46-26(13-22(32)41-8)50-31-17(3)45-25(12-21(31)40-7)49-30-16(2)44-24(36)11-20(30)39-6/h15-23,25-35,37-38H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35+/m1/s1
InChI Key:
DIJQVVFCZUGNFK-IELQLYKTSA-N
SMILES:
CO[C@H]1C[C@@H](O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)OC)O)C)O[C@H]1[C@@H](OC)C[C@@H](O[C@@H]1C)O[C@H]1[C@H](OC)CC(=O)O[C@@H]1C

Properties

Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
20  
Defined Bond Stereocenter Count:
0
Exact Mass:
752.383g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
752.848g/mol
Monoisotopic Mass:
752.383g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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