Dianhydro-D-glucitol

CAT: 0024-sc-257316Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257316Size:100 g

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CAS Number

652-67-5

Chemical Information

Isosorbide

Isosorbide is an organic molecular entity.

CAS Number	652-67-5
PubChem CID	12597
IUPAC Name	(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
Molecular Formula	C6H10O4
Molecular Weight	146.14
XLogP	-1.4
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O

InChI

InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey

KLDXJTOLSGUMSJ-JGWLITMVSA-N

Chemical Structure

2D Structure

CAS: 652-67-5

CID: 12597

Formula: C6H10O4

MW: 146.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.14
XLogP3	-1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	146.05790880
Monoisotopic Mass	146.05790880
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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
GC7939-25g	1,4:3,6-Dianhydro-D-glucitol
MD24729-01	1,4:3,6-Dianhydro-2-nitro-D-glucitol
MD09906-01	1,4:3,6-Dianhydro-5-nitro-D-glucitol
MD156856	1,4:3,6-Dianhydro- 2- O- methyl-D- glucitol
MD09909-01	1,4:3,6-Dianhydro-2-O-acetyl-D-glucitol
32021-82	D-Glucitol
MD41783-01	1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol
MD30011	1,4:3,6-Dianhydro-2,5-di-O-ethyl-D-glucitol
NBA11622-01	D-Glucitol-2-D
163410	D-Glucitol-4-d