S0H
(S)-2-HYDROXYPROPYLPHOSPHONIC ACID
Created: | 2005-07-06 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 1 |
Bond Count | 16 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID |
Systematic Name (OpenEye OEToolkits) | [(2S)-2-hydroxypropyl]phosphonic acid |
Formula | C3 H9 O4 P |
Molecular Weight | 140.075 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)CC(O)C |
SMILES | CACTVS | 3.341 | C[CH](O)C[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CP(=O)(O)O)O |
Canonical SMILES | CACTVS | 3.341 | C[C@H](O)C[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@@H](CP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | ZFVCONUOLQASEW-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 4369587 |
ChEBI | CHEBI:45410 |