Bis Thf Hns Derivative 3

CAT: 1299-RM-D050503-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D050503-01Size:10 mg

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CAS Number

799241-86-4

Synonyms

2,5-dioxopyrrolidin-1-yl ((3R,3aR,6aS) -hexahydrofuro[2,3-b]furan-3-yl) carbonate

Molecular Formula

C11H13NO7

Molecular Weight

271.22

Target Alternative Name

Bis Thf Hns

Product Name Synonym

2,5-dioxopyrrolidin-1-yl ((3R,3aR,6aS) -hexahydrofuro[2,3-b]furan-3-yl) carbonate

Chemical Information

BIS THF HNS Derivative 3

CAS Number	799241-86-4
PubChem CID	11471232
IUPAC Name	[(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
Molecular Formula	C11H13NO7
Molecular Weight	271.22
XLogP	-0.3
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	407

SMILES

C1CO[C@@H]2[C@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O

InChI

InChI=1S/C11H13NO7/c13-8-1-2-9(14)12(8)19-11(15)18-7-5-17-10-6(7)3-4-16-10/h6-7,10H,1-5H2/t6-,7+,10+/m1/s1

InChIKey

VCFNCYVHQSHFRH-FWWHASMVSA-N

Chemical Structure

2D Structure

CAS: 799241-86-4

CID: 11471232

Formula: C11H13NO7

MW: 271.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.22
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	271.06920175
Monoisotopic Mass	271.06920175
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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