Isosorbide Impurity 4 (Diluted with Lactose)

CAT: 1596-AR-I04149-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I04149-01Size:10 Units

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CAS Number

39698-15-2

Synonyms

(3R,3aR,6S,6aS) -6- (nitrooxy) hexahydrofuro[3,2-b]furan-3-yl acetate

Molecular Formula

C8H11NO7

Molecular Weight

233.18

API Name

Isosorbide

Chemical Information

Isosorbide Impurity 13

CAS Number	39698-15-2
PubChem CID	22862650
IUPAC Name	[(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
Molecular Formula	C8H11NO7
Molecular Weight	233.18
XLogP	0.9
Topological Polar Surface Area	99.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	301

SMILES

CC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]

InChI

InChI=1S/C8H11NO7/c1-4(10)15-5-2-13-8-6(16-9(11)12)3-14-7(5)8/h5-8H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1

InChIKey

RFCPWRHGGSRYGX-ULAWRXDQSA-N

Chemical Structure

2D Structure

CAS: 39698-15-2

CID: 22862650

Formula: C8H11NO7

MW: 233.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.18
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	233.05355169
Monoisotopic Mass	233.05355169
Topological Polar Surface Area	99.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
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-I04154-01	Isosorbide Impurity 13 (Diluted with Lactose)
AR-I04155-01	Isosorbide Dinitrate EP Impurity C (Isosorbide 5-Mononitrate) (Diluted with lactose)
AR-I04147-01	Isosorbide-13C6 Dinitrate EP Impurity B (Isosorbide-13C6 2-Mononitrate) (Diluted with Lactose)
AR-I04139-01	Isosorbide Impurity 17
AR-I04130-01	Isosorbide Impurity 6
AR-I01911-01	Isosorbide Impurity 2
AR-I04137-01	Isosorbide Impurity 14
AR-I04148-01	Isosorbide Impurity 3
AR-I04144-01	Isosorbide Impurity 20
AR-I01910-01	Isosorbide Impurity 1

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RM-M191662-01	Mosapride Lactose Impurity 62
RM-M191661-01	Mosapride Lactose Impurity 61
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RM-M191657-01	Mosapride Lactose Impurity 57
RM-M191660-01	Mosapride Lactose Impurity 60