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Key Documents

665991

Sigma-Aldrich

Calcium folinate-(glutamyl-13C5)

99 atom % 13C, 97% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C5C15H21CaN7O7 · xH2O
Molecular Weight:
516.46 (anhydrous basis)
UNSPSC Code:
12352005
PubChem Substance ID:

isotopic purity

99 atom % 13C

Assay

97% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mass shift

M+5

storage temp.

2-8°C

SMILES string

O.NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[13C@H]4[13CH2][13CH2][13C](=O)O[Ca]O[13C]4=O)N2C=O)N1

InChI

1S/C20H23N7O7.Ca.H2O/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);;1H2/q;+2;/p-2/t12?,13-;;/m0../s1/i5+1,6+1,13+1,14+1,19+1;;

InChI key

ANIWFDFELBSPJN-CYSZZJFWSA-L

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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