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146-14-5

146-14-5 structural image
Product Name: Flavin adenine dinucleotide
Formula: C27H33N9O15P2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility 5 mg/mL
Collision Cross Section 247.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract 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.

COMPUTED DESCRIPTORS

Molecular Weight 785.5 g/mol
XLogP3 -5
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 13
Exact Mass 785.15713538 g/mol
Monoisotopic Mass 785.15713538 g/mol
Topological Polar Surface Area 356 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1560
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

FAD is a flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. It has a role as a human metabolite, an Escherichia coli metabolite, a mouse metabolite, a prosthetic group and a cofactor. It is a vitamin B2 and a flavin adenine dinucleotide. It is a conjugate acid of a FAD(3-).