[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
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![[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/982d172619454f2f9db4fc3c045de4f4.png "[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate")
[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
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CAS No:
77193-02-3
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Formula:
C17H31O18P
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Chemical Name:
[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
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Synonyms:
agrocinopine;agrocinopine A;Agrocinopine;(2r,3s,4s,5s)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydrofuran-3-yl(2r,3s,4s)-3,4,5-trihydroxy-1-oxopentan-2-yl hydrogen phosphate(non-preferred name);DTXSID40276303;77193-02-3;[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate;L-Arabinose, 2-(dihydrogen phosphate), 4'-ester with beta-D-fructo-furanosyl-alpha-D-glucopyranoside
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CAS No:
[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate Basic Attributes
554.4 g/mol
554.12480113 g/mol
DTXSID40276303
Computed Properties
Molecular Weight:554.4
XLogP3:-7.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:13
Exact Mass:554.12480113
Monoisotopic Mass:554.12480113
Topological Polar Surface Area:303
Heavy Atom Count:36
Complexity:757
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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