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560111

(−)-(18-Crown-6)-2,3,11,12-tetracarboxylic acid

Synonym(s):

(2S,3S,11S,12S)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C16H24O14
CAS Number:
Molecular Weight:
440.35
UNSPSC Code:
12352106
NACRES:
NA.22
MDL number:
Form:
liquid, solid
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Quality Segment

form

liquid, solid

optical activity

[α]20/D −65 in 1% methanol

reaction suitability

core: crown ether

mp

208-210 °C (lit.)

SMILES string

O1C(C(OCCOCCOC(C(OCCOCC1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

InChI key

FZERLKNAJSFDSQ-UHFFFAOYSA-N

Application

Reactant for:
Preparation of optically active lysine-specific demethylase 1 inhibitor NCL-1 as a potential antitumor agent

Used as:
Chiral NMR solvating agent for determining the enantiomeric purity and absolute configuration of β-amino acids


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves



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