2616-71-9
Product Name:
3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER
Formula:
C29H46O6
Synonyms:
3α,7α-Diacetoxy-5β-cholan-24-oic acid methyl ester
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 490.7 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 490.32943918 g/mol |
| Monoisotopic Mass | 490.32943918 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 824 |
| 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 |