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Molecule
(-)-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
Identifiers
CAS Registry Number
39648-67-4
SMILES
O=P1(O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1
InChI Key
JEHUZVBIUCAMRZ-UHFFFAOYSA-N
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)
Names and Synonyms
- (-)-1,1′-Binaphthyl-2,2′-Diyl Hydrogen Phosphate Synonym
- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide, (11bR)- Synonym
- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide, (R)- Synonym
- (R)-(-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (-)-4-Hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide Synonym
- (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (-)-1,1′-Dinaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (R)-(-)-BNDHP Synonym
- (R)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (R)-1,1′-Bi-2-naphthol-2,2′-diyl hydrogen phosphate Synonym
- (R)-(-)-Binaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (R)-BNPPA Synonym
- (R)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate Synonym
- (R)-1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.29 g/mol | CAS Common Chemistry |
| 348.2940000000001 g/mol | RDKit | |
| 348.294 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 |
| 55.76 Ų | RDKit | |
| LogP | 5.531600000000003 | RDKit |
| 5.5316 | RDKit | |
| Molar Refractivity | 97.9713 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 348.055145526 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 348.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H13O4P.
