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17388-39-5

17388-39-5 structural image
Product Name: Swertiamarine
Formula: C16H22O10
Synonyms: (4aR,5R,6S)-5-Ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy1H,3H-pyrano[3,4-c]pyran-1-one;4,4a,5,6-Tetrahydro-4aα-hydroxy-1-oxo-5β-vinyl-1H,3H-pyrano[3,4-c]pyran-6-yl β-D-glucopyranoside;Swertiamarin;Swertiamarine;Swertiamaroside
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H351:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P272:Contaminated work clothing should not be allowed out of the workplace.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 374.34 g/mol
XLogP3 -2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 374.12129689 g/mol
Monoisotopic Mass 374.12129689 g/mol
Topological Polar Surface Area 155 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 592
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Swertiamarin is a glycoside.