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65995-63-3

65995-63-3 structural image
Product Name: Punicalagin
Formula: C48H28O30
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Yellow powder
Solubility In methanol, 5 mg/mL, clear
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides Other decomposition products - no data available

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
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.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 1084.7 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 17
Hydrogen Bond Acceptor Count 30
Rotatable Bond Count 0
Exact Mass 1084.06653947 g/mol
Monoisotopic Mass 1084.06653947 g/mol
Topological Polar Surface Area 511 Ų
Heavy Atom Count 78
Formal Charge 0
Complexity 2380
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Punicalagin is a tannin.