Rutinose heptaacetylrutinose

[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate

CAS: 5239-09-8

Molecular Formula	`C26H36O17`
Molecular Weight	620.6 g/mol
LogP	-0.2
Topological Polar Surface Area	212.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	17
Rotatable Bonds	17
Exact Mass	620.19525
Heavy Atoms	43
Complexity	1070.0

Chemical Identifiers

CAS Number	5239-09-8
SMILES	`CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C`
InChIKey	`LUCVIXHBPBCYCD-ZDOYKWLUSA-N`

📖 Product Overview

Rutinose heptaacetylrutinose (CAS: 5239-09-8) is a chemical compound with molecular formula C26H36O17 and molecular weight 620.6 g/mol. Its IUPAC systematic name is [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate. LogP -0.2 Topological Polar Surface Area 212.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 17 Rotatable Bonds 17 Exact Mass 620.19525 Heavy Atoms 43 Complexity 1070.0 InChI Key: LUCVIXHBPBCYCD-ZDOYKWLUSA-N. SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.

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