20702-77-6
Product Name:
Neosperidin dihydrochalcone
Formula:
C28H36O15
Synonyms:
1-(4-((2-O-[6-Deoxy-α-L -mannopyranosyl]-β-D -glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-[3-hydroxy-4-methoxyphenyl]-1-propanone;NHDC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Neohesperidin dihydrochalcone appears as off-white crystals or powder. Insoluble in water. (NTP, 1992) |
|---|---|
| Melting Point | 313 to 313 °F (NTP, 1992) |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| 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. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 612.6 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 10 |
| Exact Mass | 612.20542044 g/mol |
| Monoisotopic Mass | 612.20542044 g/mol |
| Topological Polar Surface Area | 245 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 882 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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
Neohesperidin dihydrochalcone appears as off-white crystals or powder. Insoluble in water. (NTP, 1992)