Isomannide

CAT: 1299-RM-I191929-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I191929-01Size:10 mg

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CAS Number

641-74-7

Synonyms

(3R,3aR,6R,6aR) -hexahydrofuro[3,2-b]furan-3,6-diol

Molecular Formula

C6H10O4

Molecular Weight

146.14

Target Alternative Name

Mannitol

Product Name Synonym

(3R,3aR,6R,6aR) -hexahydrofuro[3,2-b]furan-3,6-diol

Chemical Information

1,4:3,6-Dianhydro-D-mannitol

CAS Number	641-74-7
PubChem CID	10975624
IUPAC Name	(3R,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-KVTDHHQDSA-N

Chemical Structure

2D Structure

CAS: 641-74-7

CID: 10975624

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
10631404-01	Isomannide
TRC-I821335-1G	Isomannide Dinitrate