Compound C40H62O19

[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

CAS: 126-13-6

Molecular Formula	`C40H62O19`
Molecular Weight	846.9 g/mol
LogP	5.3
Topological Polar Surface Area	238.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	19
Rotatable Bonds	27
Exact Mass	846.38855
Heavy Atoms	59
Complexity	1500.0

Chemical Identifiers

CAS Number	126-13-6
SMILES	`CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C`
InChIKey	`UVGUPMLLGBCFEJ-SWTLDUCYSA-N`

📖 Product Overview

Compound C40H62O19 (CAS: 126-13-6) is a chemical compound with molecular formula C40H62O19 and molecular weight 846.9 g/mol. Its IUPAC systematic name is [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate. LogP 5.3 Topological Polar Surface Area 238.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 19 Rotatable Bonds 27 Exact Mass 846.38855 Heavy Atoms 59 Complexity 1500.0 InChI Key: UVGUPMLLGBCFEJ-SWTLDUCYSA-N. SMILES: CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C.

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