Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110701 |
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Identification |
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Name: |
(S,S)-2,3-butanediol |
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Description: | The (S,S) diastereoisomer of butane-2,3-diol. |
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Structure |
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Synonyms: | -
(S,S)-butane-2,3-diol
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(S,S)-2,3-butylene glycol
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Chemical Formula: |
C4H10O2
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Average Molecular Weight: |
90.122 |
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Monoisotopic Molecular
Weight: |
90.0680795652 |
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InChI Key: |
OWBTYPJTUOEWEK-IMJSIDKUSA-N |
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InChI: |
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | (2S,3S)-butane-2,3-diol |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC(C(C)O)O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. |
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Kingdom |
Organic compounds |
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Super Class | Organic oxygen compounds |
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Class |
Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent |
1,2-diols |
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Alternative Parents |
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Substituents |
- Secondary alcohol
- 1,2-diol
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
- secondary alcohol, glycol, butanediol (CHEBI:62064)
- a 2,3-butanediol (CPD-346)
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Physical Properties |
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State: |
Not Available |
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Charge: | 0 |
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Melting point: |
Not Available |
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Experimental Properties: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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