3913-50-6
Product Name:
3-HYDROXY-2,2-DIMETHOXY-PROPANOIC ACID 3-PHOSPHATE TRI(CYCLOHEXYLAMMONIUM) SALT
Formula:
C3H5O7P
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.04 g/mol |
|---|---|
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 183.97728949 g/mol |
| Monoisotopic Mass | 183.97728949 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 214 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-phosphonooxypyruvic acid is a carboxyalkyl phosphate that is pyruvic acid substituted at position 3 by a 3-phosphonooxy group. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-phosphonatooxypyruvate(3-).