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Molecule
Dtpmp
CAS: 15827-60-8 · C9H28N3O15P5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15827-60-8
- Molecular Formula
- C9H28N3O15P5
- Molecular Mass
- 573.20 g/mol
Identifiers
CAS Registry Number
15827-60-8
SMILES
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O
InChI Key
DUYCTCQXNHFCSJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
Names and Synonyms
- Dtpmp Synonym
- Phosphonic acid, P,P′,P′′,P′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- Synonym
- Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- Synonym
- Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]- Synonym
- P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis[phosphonic acid] Synonym
- Diethylenetriaminepenta(methylenephosphonic acid) Synonym
- Diethylenetriaminepentakis(methylenephosphonic acid) Synonym
- Diethylenetriaminepentakis(methylphosphonic acid) Synonym
- Ethylenetriaminepenta(methylenephosphonic acid) Synonym
- Diethylenetriamine-N,N,N′,N′′,N′′-pentakis(methylenephosphonic acid) Synonym
- Dequest 2060 Synonym
- Diethylenetriaminopenta(methylenephosphonic acid) Synonym
- DTPF Synonym
- Sequion 40H50 Synonym
- DTPP Synonym
- DTPPA Synonym
- DTPMP Synonym
- Lonza 905 Synonym
- DETPMP Synonym
- Diethylenetriamine-N,N,N′,N′′,N′′-penta(methylenephosphonic acid) Synonym
- Dequest 2060S Synonym
- Versenate PS Synonym
- Cublen D 50 Synonym
- CIX Synonym
- DQ 2060 Synonym
- Dequest 2060A Synonym
- DTPA-P Synonym
- Dequest SPE 9505 Synonym
- Cublen DNC 450 Synonym
- DTPMPA Synonym
- Sirrix Antox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 573.20 g/mol | CAS Common Chemistry |
| 573.1990000000004 g/mol | RDKit | |
| 573.199 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DTPMP | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27) | CAS Common Chemistry |
| InChI Key | InChIKey=DUYCTCQXNHFCSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylenetriaminepenta(methylenephosphonic acid) | CAS Common Chemistry |
| DTPMP | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 297.37 Ų | RDKit |
| LogP | -2.4315999999999995 | RDKit |
| -2.4316 | RDKit | |
| Molar Refractivity | 109.54050000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 573.020850346 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 573.20 g/mol. Edit any field — others recompute live.
