IS-5-MN-2-Glu

6-[[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 32871-20-8

Molecular Formula	`C12H17NO12`
Molecular Weight	367.26 g/mol
LogP	-2.0
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	367.07507
Heavy Atoms	25
Complexity	525.0

Chemical Identifiers

CAS Number	32871-20-8
SMILES	`C1C(C2C(O1)C(CO2)O[N+](=O)[O-])OC3C(C(C(C(O3)C(=O)O)O)O)O`
InChIKey	`MQHSDQNPAIOBOQ-KUIJWGRUSA-N`

📖 Product Overview

IS-5-MN-2-Glu (CAS: 32871-20-8) is a chemical compound with molecular formula C12H17NO12 and molecular weight 367.26 g/mol. Its IUPAC systematic name is 6-[[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. LogP -2.0 Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 4 Exact Mass 367.07507 Heavy Atoms 25 Complexity 525.0 InChI Key: MQHSDQNPAIOBOQ-KUIJWGRUSA-N. SMILES: C1C(C2C(O1)C(CO2)O[N+](=O)[O-])OC3C(C(C(C(O3)C(=O)O)O)O)O.

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