CAS 119065-82-6 | 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3S,7S,7aR)- | CAS Number 119065-82-6

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119065-82-6 | 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3S,7S,7aR)-

CAS No: 119065-82-6 Catalog No: AG000I4G MDL No:

Product Description

Catalog Number:

AG000I4G

Chemical Name:

1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3S,7S,7aR)-

CAS Number:

119065-82-6

Molecular Formula:

C8H15NO4

Molecular Weight:

189.2090

IUPAC Name:

(1R,2R,3S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

InChI:

InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1

InChI Key:

AIQMLBKBQCVDEY-TVNFTVLESA-N

SMILES:

OC[C@H]1[C@@H](O)[C@@H]([C@@H]2N1CC[C@@H]2O)O

Properties

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.211g/mol

Monoisotopic Mass:

189.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Total synthesis of uniflorine A, casuarine, australine, 3-epi-australine, and 3,7-di-epi-australine from a common precursor.	The Journal of organic chemistry 20100205
A noncarbohydrate based approach to polyhydroxylated pyrrolidizines: total syntheses of the natural products hyacinthacine A1 and 1-epiaustraline.	The Journal of organic chemistry 20050902
A concise total synthesis of (+/-)-1-epiaustraline.	Organic letters 20040610
Asymmetric synthesis of (-)-7-epiaustraline and (+)-1,7-diepiaustraline.	The Journal of organic chemistry 20031003
Synthesis of (+)-1-epiaustraline.	The Journal of organic chemistry 20010615