Dipotassium Pentacalcium Dicalcein
CAS #: 36352-49-5
Product Code : E-K-A19-CU-CU
CAS #: 36352-49-5
Linear Formula: C60H52Ca5K2N4O26
MDL Number: N/A
EC No.: 252-990-0
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Synonyms
dipotassium pentacalcium tetrahydrogen bis[N, N'-[(3', 6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H), 9'-[9H]xanthene]-4', 5'-diyl)bis(methylene)]bis[N-(carboxylatomethyl)aminoacetate]]; 2-[[5'-[(bis(carboxymethyl)amino)methyl]-3', 6'-dihydroxy-3-oxo-spiro[isobenzofuran-1, 9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid; calcium; potassium; Glycine, N, N'-((3', 6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H), 9'-(9H)xanthene)-4', 5'-diyl)bis(methylene))bis(N-(carboxymethyl)-, calcium potassium salt (2:5:2)
Compound Formula: C60H52Ca5K2N4O26
Molecular Weight: 1523.65
Appearance: solid
Melting Point: N/A
Boiling Point: N/A
Density: N/A
Solubility in H2O: N/A
Exact Mass: 1522.027346
Monoisotopic Mass: 1522.027346
Health & Safety Information
Signal Word: N/A
Hazard Statements: N/A
Hazard Codes: N/A
Risk Codes: N/A
Safety Statements: N/A
Transport Information: N/A
Chemical Identifiers
Linear Formula: C60H52Ca5K2N4O26
Pubchem CID: 11979791
MDL Number: N/A
EC No.: 252-990-0
IUPAC Name: 2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid; calcium; potassium
SMILES: c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)O.c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)O.[K].[K].[Ca].[Ca].[Ca].[Ca].[Ca]
InchI Identifier: InChI=1S/2C30H26N2O13.5Ca.2K/c2*33-21-7-5-19-27(16(21)9-31(11-23(35)36)12-24(37)38)44-28-17(10-32(13-25(39)40)14-26(41)42)22(34)8-6-20(28)30(19)18-4-2-1-3-15(18)29(43)45-30;;;;;;;/h2*1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;;;;
InchI Key: QIYLZCICMAIZDA-UHFFFAOYSA-N
