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936827-87-1

936827-87-1 structural image
Product Name: 3′-Phosphoadenosine-5′-phosphosulfate triethylammonium salt
Formula: C16H30N6O13P2S
Synonyms: 3′-Phosphoadenosine-5′-phosphosulfate triethylammonium salt
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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 P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
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 912.0 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 18
Exact Mass 911.46802865 g/mol
Monoisotopic Mass 911.46802865 g/mol
Topological Polar Surface Area 313 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 845
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 5
Compound Is Canonicalized Yes