Thionigerose

(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol

CAS: 159495-64-4

Molecular Formula	`C12H22O10S`
Molecular Weight	358.36 g/mol
LogP	-3.4
Topological Polar Surface Area	206.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	358.09335
Heavy Atoms	23
Complexity	387.0

Chemical Identifiers

CAS Number	159495-64-4
SMILES	`C(C1C(C(C(C(O1)O)O)SC2C(C(C(C(O2)CO)O)O)O)O)O`
InChIKey	`XRTVCRDMGYFFNB-NMCXEIBESA-N`

📖 Product Overview

Thionigerose (CAS: 159495-64-4) is a chemical compound with molecular formula C12H22O10S and molecular weight 358.36 g/mol. Its IUPAC systematic name is (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol. LogP -3.4 Topological Polar Surface Area 206.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 358.09335 Heavy Atoms 23 Complexity 387.0 InChI Key: XRTVCRDMGYFFNB-NMCXEIBESA-N. SMILES: C(C1C(C(C(C(O1)O)O)SC2C(C(C(C(O2)CO)O)O)O)O)O.

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