Name: Name:D-chiro-Inositol, 3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)-
Brand: Angene
SKU: AG00EHLE
Rating: 90 (10 reviews)

D-chiro-Inositol, 3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)-

CAS No.:

57819-56-4

Catalog Number:

AG00EHLE

Molecular Formula:

C13H22O6

Molecular Weight:

274.3102

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Product Description

Catalog Number:

AG00EHLE

Chemical Name:

D-chiro-Inositol, 3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)-

CAS Number:

57819-56-4

Molecular Formula:

C13H22O6

Molecular Weight:

274.3102

MDL Number:

MFCD00272689

IUPAC Name:

(1R,2R,6R,7S,8S,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-ol

InChI:

InChI=1S/C13H22O6/c1-12(2)16-8-6(14)7(15-5)9-11(10(8)18-12)19-13(3,4)17-9/h6-11,14H,1-5H3/t6-,7-,8+,9+,10+,11+/m0/s1

InChI Key:

IPNUFAHKROGNMZ-HGQQYVGVSA-N

SMILES:

CO[C@@H]1[C@H]2OC(O[C@H]2[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C)(C)C

Properties

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.313g/mol

Monoisotopic Mass:

274.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Semi-synthetic analogs of pinitol as potential inhibitors of TNF-alpha cytokine expression in human neutrophils.	Bioorganic & medicinal chemistry letters 20090401