D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-, [1S-(1alpha,4alpha,5beta,6alpha)]-

Base Information

• Chemical Name: D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-, [1S-(1alpha,4alpha,5beta,6alpha)]-
• CAS No.: 78180-90-2
• Molecular Formula: C₂₀H₃₅NO₁₃
• Molecular Weight: 497.497
• DSSTox Substance ID: DTXSID901099724
• Mol file: 78180-90-2.mol

Synonyms:SCHEMBL14408607;DTXSID901099724;D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-, [1S-(1alpha,4alpha,5beta,6alpha)]-

Chemical Property of D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-, [1S-(1alpha,4alpha,5beta,6alpha)]-

Chemical Property:

• PSA: 253.02000
• LogP: -6.36180
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 497.21084017
• Heavy Atom Count: 34
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)CO