32981-86-5
Product Name:
10-Deacetylbaccatin III
Formula:
C29H36O10
Synonyms:
10-Deacetylbaccatin III
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H340:Germ cell mutagenicity H350:Carcinogenicity H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 544.6 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 544.23084734 g/mol |
| Monoisotopic Mass | 544.23084734 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1090 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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
10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III.