Aprosulate Sodium

hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfonatooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxybutyl] sulfate

CAS: 123072-45-7

Molecular Formula	`C27H34N2Na16O70S16`
Molecular Weight	2387.4 g/mol
Topological Polar Surface Area	1290.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	70
Rotatable Bonds	36
Exact Mass	2385.3057
Heavy Atoms	131
Complexity	4720.0

Chemical Identifiers

CAS Number	123072-45-7
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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]`
InChIKey	`CXKOATPJKFZCEL-HPXJARCXSA-A`

📖 Product Overview

Aprosulate Sodium (CAS: 123072-45-7) is a chemical compound with molecular formula C27H34N2Na16O70S16 and molecular weight 2387.4 g/mol. Its IUPAC systematic name is hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfonatooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxybutyl] sulfate. Topological Polar Surface Area 1290.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 70 Rotatable Bonds 36 Exact Mass 2385.3057 Heavy Atoms 131 Complexity 4720.0 InChI Key: CXKOATPJKFZCEL-HPXJARCXSA-A. 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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

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