614106

Cholic acid-2,2,3,4,4-d₅

98 atom % D, 98% (CP)

• Empirical Formula (Hill Notation): C₂₄D₅H₃₅O₅
• CAS Number: 53007-09-3
• Molecular Weight: 413.60
• NACRES: NA.12
• PubChem Substance ID: 329759482
• UNSPSC Code: 12352106
• MDL number: MFCD08702879
• Isotopic purity: 98 atom % D
• Assay: 98% (CP)
• Mass shift: M+5
• Form: solid

Properties

• isotopic purity: 98 atom % D
• Quality Segment: 200
• assay: 98% (CP)
• form: solid
• technique(s): mass spectrometry (MS): suitable
• mp: 200-201 °C (lit.)
• mass shift: M+5
• SMILES string: [2H][C@@]1(O)C([2H])([2H])C[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])C1([2H])[2H]
• InChI: 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2,15D
• InChI key: BHQCQFFYRZLCQQ-VRLVFLRJSA-N

Description

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.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable