CAS 115649-93-9 | 6,7,8-Indolizinetriol, octahydro-, (6S,7R,8R,8aR)- | CAS Number 115649-93-9

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115649-93-9 | 6,7,8-Indolizinetriol, octahydro-, (6S,7R,8R,8aR)-

CAS No: 115649-93-9 Catalog No: AG000GOP MDL No:

Product Description

Catalog Number:

AG000GOP

Chemical Name:

6,7,8-Indolizinetriol, octahydro-, (6S,7R,8R,8aR)-

CAS Number:

115649-93-9

Molecular Formula:

C8H15NO3

Molecular Weight:

173.2096

IUPAC Name:

(6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol

InChI:

InChI=1S/C8H15NO3/c10-6-4-9-3-1-2-5(9)7(11)8(6)12/h5-8,10-12H,1-4H2/t5-,6+,7-,8-/m1/s1

InChI Key:

NCQXPGNMJJWGLP-ULAWRXDQSA-N

SMILES:

O[C@H]1CN2CCC[C@@H]2[C@H]([C@@H]1O)O

Properties

Complexity:

176

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.212g/mol

Monoisotopic Mass:

173.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.3

Literature

Title	Journal
Asymmetric syntheses of 1-deoxy-6,8a-di-epi-castanospermine and 1-deoxy-6-epi-castanospermine.	The Journal of organic chemistry 20120615
Asymmetric total synthesis of 1-deoxy-7,8-di-epi-castanospermine.	Organic & biomolecular chemistry 20100407
The 5-endo-trig cyclization of D-glucose derived gamma-alkenylamines with mercury (II) salts: synthesis of 1-deoxycastanospermine and its 8a-epi-analogue.	Molecules (Basel, Switzerland) 20050831