RefChem:730020

(2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 125935-84-4

Molecular Formula	`C28H44N2O23`
Molecular Weight	776.6 g/mol
LogP	-7.4
Topological Polar Surface Area	400.0 A2
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	23
Rotatable Bonds	12
Exact Mass	776.23346
Heavy Atoms	53
Complexity	1300.0

Chemical Identifiers

CAS Number	125935-84-4
SMILES	`CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O`
InChIKey	`KIUKXJAPPMFGSW-MNSSHETKSA-N`

📖 Product Overview

RefChem:730020 (CAS: 125935-84-4) is a chemical compound with molecular formula C28H44N2O23 and molecular weight 776.6 g/mol. Its IUPAC systematic name is (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. LogP -7.4 Topological Polar Surface Area 400.0 A2 Hydrogen Bond Donors 14 Hydrogen Bond Acceptors 23 Rotatable Bonds 12 Exact Mass 776.23346 Heavy Atoms 53 Complexity 1300.0 InChI Key: KIUKXJAPPMFGSW-MNSSHETKSA-N. SMILES: CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O.

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