(2R,3S,4R,5R)-2-Fluoro-3,4,5,6-tetrahydroxyhexanal, 98%

Name: (2R,3S,4R,5R)-2-Fluoro-3,4,5,6-tetrahydroxyhexanal
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

29702-43-0

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IUPAC name	(2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal
inchi	InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
inchi key	AOYNUTHNTBLRMT-SLPGGIOYSA-N
molecular formula	C6H11FO5
synonyms	29702-43-0 2-Deoxy-2-fluoro-D-glucose 2-Fluoro-2-deoxy-D-glucose Fludeoxyglucose (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal
Compound Description	2-deoxy-2-fluoro-aldehydo-D-glucose is a 2-deoxy-2-fluoro-D-glucose and an aldehyde. It is functionally related to an aldehydo-D-glucose. Fludeoxyglucose is under investigation in clinical trial NCT03262389 . The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland.

Computed Properties

Molecular Weight:	182.15 g/mol
XLogP3:	-2.4
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	5
Exact Mass:	182.05905161 g/mol
Monoisotopic Mass:	182.05905161 g/mol
Topological Polar Surface Area:	98 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	142
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:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal
inchi	InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
inchi key	AOYNUTHNTBLRMT-SLPGGIOYSA-N
molecular formula	C6H11FO5
synonyms	29702-43-0 2-Deoxy-2-fluoro-D-glucose 2-Fluoro-2-deoxy-D-glucose Fludeoxyglucose (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal
Compound Description	2-deoxy-2-fluoro-aldehydo-D-glucose is a 2-deoxy-2-fluoro-D-glucose and an aldehyde. It is functionally related to an aldehydo-D-glucose. Fludeoxyglucose is under investigation in clinical trial NCT03262389 . The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland.

Computed Properties

Molecular Weight:	182.15 g/mol
XLogP3:	-2.4
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	5
Exact Mass:	182.05905161 g/mol
Monoisotopic Mass:	182.05905161 g/mol
Topological Polar Surface Area:	98 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	142
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:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CA7591

(2R,3S,4R,5R)-2-Fluoro-3,4,5,6-tetrahydroxyhexanal, 98%

Product No: CA7591

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SAFETY AND HAZARDS

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Certificate of Analysis

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Product No: CA7591

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?