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calcium;3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

calcium;3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate structure

CAS No:
61315-98-8
Formula:
C38H42CaO18S2
Chemical Name:
calcium;3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate
Synonyms:
1-Propanesulfonic acid, 3-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-, calcium salt (2:1);61315-98-8;DTXSID10210219;3-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-1-propanesulfonic acid calcium salt (2:1)

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calcium;3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate Basic Attributes

Molecular Weight：

890.9 g/mol

Exact Mass：

890.1438477 g/mol

DSSTox ID：

DTXSID10210219

Characteristics

PSA：

324 Å²

Computed Properties

Molecular Weight:890.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:18
Exact Mass:890.1438477
Monoisotopic Mass:890.1438477
Topological Polar Surface Area:324
Heavy Atom Count:59
Complexity:592
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of calcium;3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

Basic Attributes
Characteristics
Computed Properties

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