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12772-56-4

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Basic Information
CAS No.: 12772-56-4
Name: LITHIUMCARMINE
Molecular Structure:
Molecular Structure of 12772-56-4 (LITHIUMCARMINE)
Formula: C22H20 O13 . Li
Molecular Weight: 499.36
Synonyms: Lithiumcarminate
Density: g/cm3
Boiling Point: 100.6°Cat760mmHg
Flash Point: 29.9°C
Safety: An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. See also LITHIUM COMPOUNDS.
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    LITHIUMCARMINE

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    Shanghai, Run-Biotech Co., Ltd is a leading domestic pharmaceutical, biopharmaceutical, and health care products R & D outsourcing services company. As an innovation-driven and customer-focused company, Run Biotech provides a broad and integrated por

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Chemistry

Empirical Formula of Lithium carmine (CAS NO.12772-56-4): C22H19LiO13
Molecular Weight: 498.3195 g/mol
Flash Point: 316.1 °C
Enthalpy of Vaporization: 138.24 kJ/mol
Boiling Point: 907.6 °C at 760 mmHg
Vapour Pressure: 1.59E-35 mmHg at 25 °C
Structure of Lithium carmine (CAS NO.12772-56-4):
                               
IUPAC Name: Lithium 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
Canonical SMILES: [Li+].CC1=C2C(=CC(=C1C(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES: [Li+].CC1=C2C(=CC(=C1C(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O)O
InChI: InChI=1S/C22H20O13.Li/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);/q;+1/p-1/t7?,14-,19+,20-,21+;/m1./s1
InChIKey: HOMSROTYBUUQNI-AEXMGWOMSA-M

Safety Profile

An experimental teratogen. Experimental reproductive effects. When heated to decomposition Lithium carmine (CAS NO.12772-56-4) emits acrid smoke and irritating fumes. See also LITHIUM COMPOUNDS.

Specification

 Lithium carmine , its cas register number is 12772-56-4. It also can be called 2-Anthracenecarboxylic acid, 7-alpha-D-glucopyranosyl-9,10-dihydro-3,5,6,5-tetrahydroxy-1-methyl-9,10-dioxo-, monolithium salt .