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(Sp-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-Κn1,Κn2]Bis(Tetradecanoato-Κo)Platinum
CAS: 141977-79-9 | C34H68N2O4Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141977-79-9
Molecular Formula:
C34H68N2O4Pt
Molecular Mass:
764.01 g/mol
Names and Synonyms:
(Sp-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-Κn1,Κn2]Bis(Tetradecanoato-Κo)Platinum
Platinum, [(1R,2R)-1,2-cyclohexanediamine-κN1,κN2]bis(tetradecanoato-κO)-, (SP-4-2)-
Platinum, (1,2-cyclohexanediamine-κN,κN′)bis(tetradecanoato-κO)-, [SP-4-2-[1R-(trans)]]-
Platinum, [(1R,2R)-1,2-cyclohexanediamine-κN,κN′]bis(tetradecanoato-κO)-, (SP-4-2)-
(SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2]bis(tetradecanoato-κO)platinum
SM 11355
Platinum, (1,2-cyclohexanediamine-N,N′)bis(tetradecanoato-O)-, [SP-4-2-(1R-trans)]-
Cyclohexane-(1R,2R)-diamineplatinum(II) dimyristate
Miriplatin
[(1R,2R)-1,2-Cyclohexanediamine]bis(myristato)platinum
Miripla
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N[C@@H]1CCCC[C@H]1N.[Pt+2]
InChI:
InChI=1S/2C14H28O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;/q;;;+2/p-2/t;;5-,6-;/m..1./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 764.01 g/mol | CAS Common Chemistry |
| 764.0060000000004 g/mol | RDKit | |
| 763.482699756 g/mol | RDKit | |
| Canonical SMILES | O=C([O-][Pt+2]1([O-]C(=O)CCCCCCCCCCCCC)[NH2]C2CCCCC2[NH2]1)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C14H28O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;/q;;;+2/p-2/t;;5-,6-;/m..1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BGIHRZPJIYJKAZ-BLUNCNMSSA-L | CAS Common Chemistry |
| Name | (SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2]bis(tetradecanoato-κO)platinum | CAS Common Chemistry |
| Heavy Atom Count | 41 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.29999999999998 Ų | RDKit |
| LogP | 7.087300000000006 | RDKit |
| Molar Refractivity | 166.58879999999974 | RDKit |
