L-Isoidide Dinitrate

CAT: 1596-AR-I04143-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I04143-04Size:100 Units

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CAS Number

575-86-0

Molecular Formula

C6H8N2O8

Molecular Weight

236.14

API Name

Isosorbide

Chemical Information

Isoidide dinitrate

CAS Number	575-86-0
PubChem CID	13019154
IUPAC Name	[(3S,3aS,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate
Molecular Formula	C6H8N2O8
Molecular Weight	236.14
XLogP	1.3
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	268

SMILES

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1

InChIKey

MOYKHGMNXAOIAT-UNTFVMJOSA-N

Chemical Structure

2D Structure

CAS: 575-86-0

CID: 13019154

Formula: C6H8N2O8

MW: 236.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.14
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	236.02806522
Monoisotopic Mass	236.02806522
Topological Polar Surface Area	129 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-I04142-01	D-Isoidide Dinitrate
AR-I04156-01	L-Isoidide
AR-I04135-01	D-Isoidide
AR-I01904-01	Isosorbide Dinitrate
AR-M01071-01	Isomannide Dinitrate
AR-I04128-01	Isosorbide-13C6 Dinitrate
AR-C07711-01	Cis-Diaquodiammineplatinum (II) dinitrate
AR-N01399-01	Nicorandil Impurity 4 Dinitrate
AR-L07585-01	Lobaplatin Impurity 5 Dinitrate
AR-G02563-01	Glycerol 1,3-dinitrate solution