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Molecule
Polaris
CAS: 2439-99-8 · C4H11NO8P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2439-99-8
- Molecular Formula
- C4H11NO8P2
- Molecular Mass
- 263.08 g/mol
Identifiers
CAS Registry Number
2439-99-8
SMILES
O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI Key
OXHDYFKENBXUEM-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
Names and Synonyms
- Polaris Synonym
- Glycine, N,N-bis(phosphonomethyl)- Synonym
- N,N-Bis(phosphonomethyl)glycine Synonym
- Nitrilomonoacetic acid dimethylenephosphonic acid Synonym
- CP 41845 Synonym
- Polaris Synonym
- Glyphosine Synonym
- MON-O45 Synonym
- Glycine-N,N-bis(methylenephosphonic acid) Synonym
- MON 845 Synonym
- Nitrilomonomethylcarbonyldimethylphosphonic acid Synonym
- Glycinedimethanephosphonic acid Synonym
- C 9552 Synonym
- N,N-Bis(phosphonomethyl)aminoacetic acid Synonym
- Polaris (ripening agent) Synonym
- N,N-Di(phosphonomethyl)glycine Synonym
- NSC 18468 Synonym
- N,N-Bis(phosphonomethyl)aminoacetic Synonym
- GDMP Synonym
- 2-[Bis(phosphonomethyl)amino]acetic acid Synonym
- Glycine dimethylene phosphonic acid Synonym
- (((Carboxymethyl)imino)dimethylene)bisphosphonic acid Synonym
- Glycine, anhydride with dimethyl phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.08 g/mol | CAS Common Chemistry |
| 263.079 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=OXHDYFKENBXUEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | Polaris | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.6 Ų | RDKit |
| LogP | -1.3566000000000003 | RDKit |
| -1.3566 | RDKit | |
| Molar Refractivity | 48.16400000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 262.995989572 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 263.08 g/mol. Edit any field — others recompute live.
