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(-)-1,1′-Binaphthyl-2,2′-Diyl Hydrogen Phosphate
CAS: 39648-67-4 | C20H13O4P
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
39648-67-4
Molecular Formula:
C20H13O4P
Molecular Mass:
348.29 g/mol
Names and Synonyms:
(-)-1,1′-Binaphthyl-2,2′-Diyl Hydrogen Phosphate
Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide, (11bR)-
Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide, (R)-
(R)-(-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
(-)-4-Hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide
(-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
(-)-1,1′-Dinaphthyl-2,2′-diyl hydrogen phosphate
(R)-(-)-BNDHP
(R)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
(R)-1,1′-Bi-2-naphthol-2,2′-diyl hydrogen phosphate
(R)-(-)-Binaphthyl-2,2′-diyl hydrogen phosphate
(R)-BNPPA
(R)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
(R)-1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate
Identifiers:
SMILES:
O=P1(O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1
InChI:
InChI=1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)
Key Properties
Melting Point
220 °C
CAS Common Chemistry
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 | 348.29 g/mol | CAS Common Chemistry |
| 348.2940000000001 g/mol | RDKit | |
| 348.055145526 g/mol | RDKit | |
| Canonical SMILES | O=P1(O)OC=2C=CC=3C=CC=CC3C2C4=C(O1)C=CC=5C=CC=CC54 | CAS Common Chemistry |
| InChI | InChI=1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=JEHUZVBIUCAMRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| LogP | 5.531600000000003 | RDKit |
| Molar Refractivity | 97.9713 | RDKit |
