D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate
CAS Registry Number®
15596-27-7
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CAS Name
D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylateMolecular Formula
C42H32N6O12Molecular Mass
812.74Cite this Page
D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=15596-27-7 (retrieved ) (CAS RN: 15596-27-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
231-233 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2/t33-,34-,35-,36-/m1/s1
InChIKey
InChIKey=IMRLNFKFNFLWQF-MGXDLYCJSA-N
SMILES
[C@H]([C@@H]([C@H](OC(=O)C=1C=CC=NC1)COC(=O)C=2C=CC=NC2)OC(=O)C=3C=CC=NC3)([C@H](OC(=O)C=4C=CC=NC4)COC(=O)C=5C=CC=NC5)OC(=O)C=6C=CC=NC6
Canonical SMILES
O=C(OCC(OC(=O)C=1C=NC=CC1)C(OC(=O)C=2C=NC=CC2)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=NC=CC4)COC(=O)C=5C=NC=CC5)C=6C=NC=CC6
Other Names for this Substance
- D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate
- Mannitol, hexanicotinate, D-
- D-Mannitol, hexa-3-pyridinecarboxylate
Deleted or Replaced CAS Registry Numbers
6384-81-2
