70699-77-3

Basic information

• Product Name: agropine
• Synonyms: agropine;(3S)-2-Oxo-6α-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholine-3α-propanamide
• CAS NO: 70699-77-3
• Molecular Formula: C₁₁H₂₀N₂O₇
• Molecular Weight: 292.2857
• Mol File: 70699-77-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 760.4°C at 760 mmHg
• Flash Point: 413.7°C
• Appearance: /
• Density: 1.43g/cm³
• Vapor Pressure: 1.08E-26mmHg at 25°C
• Refractive Index: 1.555
• CAS DataBase Reference: agropine(CAS DataBase Reference)
• NIST Chemistry Reference: agropine(70699-77-3)
• EPA Substance Registry System: agropine(70699-77-3)

Safety Data

• Hazardous Substances Data: 70699-77-3(Hazardous Substances Data)

Usage

Occurrence

A constituent of the ethanolic extract of Crown gall tumour.

InChI:InChI=1/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1

Upstream product

• 87084-52-4 (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid 
• 530-26-7 D-Mannose 
• 56-85-9 L-glutamine 

Downstream Products

• 87084-52-4 (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid 
• 74474-75-2 N²-(1'-deoxyhexitol-1'-yl)-5-oxoproline 

Relevant articles and documents

AGROPINE: A REVISED STRUCTURE

The product known as agropine from crown-gall tumour is shown to be indistinguishable in all of its properties ( physical, chemical, and biological) from N2-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine, 1,2'-lactone, a C11H20N2O7 compound produced by cyclisation of N2-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine.Two prior assignments of a C11H17NO7 formula obtained by high-resolution electronimpact mass spectrometry have been shown by field-desorption mass spectrometry to correspond to a fragment produced by the rapid loss of ammonia from the parent molecular species.