Aprosulate

[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxybutyl] hydrogen sulfate

CAS: 123123-68-2

Molecular Formula	`C27H50N2O70S16`
Molecular Weight	2035.7 g/mol
LogP	-17.5
Topological Polar Surface Area	1250.0 A2
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	70
Rotatable Bonds	52
Exact Mass	2033.5946
Heavy Atoms	115
Complexity	4940.0

Chemical Identifiers

CAS Number	123123-68-2
SMILES	`C(CNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)CNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O`
InChIKey	`KSXQTGMWWMBCIP-VXMGFIRPSA-N`

📖 Product Overview

Aprosulate (CAS: 123123-68-2) is a chemical compound with molecular formula C27H50N2O70S16 and molecular weight 2035.7 g/mol. Its IUPAC systematic name is [(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxybutyl] hydrogen sulfate. LogP -17.5 Topological Polar Surface Area 1250.0 A2 Hydrogen Bond Donors 18 Hydrogen Bond Acceptors 70 Rotatable Bonds 52 Exact Mass 2033.5946 Heavy Atoms 115 Complexity 4940.0 InChI Key: KSXQTGMWWMBCIP-VXMGFIRPSA-N. SMILES: C(CNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)CNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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