CAS 126661-83-4 | D-myo-Inositol, 1,2-anhydro-3-deoxy-3-(hydroxymethyl)- | CAS Number 126661-83-4

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126661-83-4 | D-myo-Inositol, 1,2-anhydro-3-deoxy-3-(hydroxymethyl)-

CAS No: 126661-83-4 Catalog No: AG000T1H MDL No:

Product Description

Catalog Number:

AG000T1H

Chemical Name:

D-myo-Inositol, 1,2-anhydro-3-deoxy-3-(hydroxymethyl)-

CAS Number:

126661-83-4

Molecular Formula:

C7H12O5

Molecular Weight:

176.1672

IUPAC Name:

(1S,2R,3S,4R,5R,6R)-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

InChI:

InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1

InChI Key:

YQLWKYQDOQEWRD-GEGSFZHJSA-N

SMILES:

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

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.168g/mol

Monoisotopic Mass:

176.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2

Literature

Title	Journal
Rice BGlu1 glycosynthase and wild type transglycosylation activities distinguished by cyclophellitol inhibition.	Carbohydrate research 20120501
A short synthesis of (+)-cyclophellitol.	The Journal of organic chemistry 20051125
Enantiodivergent formal synthesis of (+)- and (-)-cyclophellitol from D-xylose based on the latent symmetry concept.	The Journal of organic chemistry 20050121
[Synthetic studies on sugar-related bioactive substances based on the ring transformation].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20021001
AAA in KAT/DYKAT processes: first- and second-generation asymmetric syntheses of (+)- and (-)-cyclophellitol.	Chemistry (Weinheim an der Bergstrasse, Germany) 20010903