[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate
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![[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7f7d7012c55747b2839e1ae01010262c.png "[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate")
[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate
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CAS No:
53595-18-9
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Formula:
C15H24N5O17P3
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Chemical Name:
[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate
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Synonyms:
Diphosphorsaeure-1-(O2'-phosphono-adenosin-5'-ylester)-2-D-ribose-5-ylester; diphosphoric acid-1-(O2'-phosphono-adenosin-5'-yl ester)-2-D-ribose-5-yl ester; ATP-Ribose; Phosphoadenosine diphosphoribose; 2 inverted exclamation marka-Monophosphoadenosine 5 inverted exclamation marka-diphosphoribose sodium salt;
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CAS No:
[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate Basic Attributes
639.29600
639.03800531
DTXSID20407754
Safety Information
R20/22; R36/38
S24; S45
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:639.30
XLogP3:-7.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:14
Exact Mass:639.03800531
Monoisotopic Mass:639.03800531
Topological Polar Surface Area:346
Heavy Atom Count:40
Complexity:1020
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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