CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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 |
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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-).