Nicotinic acid adenine dinucleotide phosphate
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Nicotinic acid adenine dinucleotide phosphate
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CAS No:
5502-96-5
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Formula:
C21H27N6O18P3
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Chemical Name:
Nicotinic acid adenine dinucleotide phosphate
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Synonyms:
Adenosine 5′-(trihydrogen diphosphate),2′-(dihydrogen phosphate),P′→5′-ester with 3-carboxy-1-β-D-ribofuranosylpyridinium,inner salt;Pyridinium,3-carboxy-1-β-D-ribofuranosyl-,hydroxide,5′→5′-ester with adenosine 2′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate),inner salt;Nicotine-TPN;Nicotinic acid adenine dinucleotide phosphate;NAADP+;NAADP;196083-48-4;1095047-58-7
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CAS No:
Characteristics
362
−20°C
230.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|230.3 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
3
36/37/38
26-36
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:744.4
XLogP3:-6.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:13
Exact Mass:744.05946903
Monoisotopic Mass:744.05946903
Topological Polar Surface Area:362
Heavy Atom Count:48
Complexity:1290
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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