calcium;furan-2-yl hydrogen carbonate;hydride;hydrate

C5H8CaO5 — CID 173498538

IUPACcalcium;furan-2-yl hydrogen carbonate;hydride;hydrate
SMILESO.O=C(O)Oc1ccco1.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H4O4.Ca.H2O.2H/c6-5(7)9-4-2-1-3-8-4;;;;/h1-3H,(H,6,7);;1H2;;/q;+2;;2*-1
InChIKeyHXPISBBFPZRYMY-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.36
Rot. Bonds1

About calcium;furan-2-yl hydrogen carbonate;hydride;hydrate

calcium;furan-2-yl hydrogen carbonate;hydride;hydrate (PubChem CID 173498538) has the molecular formula C5H8CaO5 and a molecular weight of 188.19 g/mol. Its IUPAC name is calcium;furan-2-yl hydrogen carbonate;hydride;hydrate.

Molecular Properties

Compound Namecalcium;furan-2-yl hydrogen carbonate;hydride;hydrate
PubChem CID173498538
Molecular FormulaC5H8CaO5
Molecular Weight188.19 g/mol
Exact Mass188.00
IUPAC Namecalcium;furan-2-yl hydrogen carbonate;hydride;hydrate
SMILESO.O=C(O)Oc1ccco1.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H4O4.Ca.H2O.2H/c6-5(7)9-4-2-1-3-8-4;;;;/h1-3H,(H,6,7);;1H2;;/q;+2;;2*-1
InChIKeyHXPISBBFPZRYMY-UHFFFAOYSA-N
XLogP0.36
TPSA91.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
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furan-2-yl 3-amino-3-oxopropanoate
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furan-2-yl triphenylgermylformate
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CID 101033602
CID 101033602
furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
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furan-2-yl 2-phenylbut-3-ynoate
CID 102070869
furan-2-yl 2,4-dimethylpentanoate
CID 11998473
calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate
CID 69417333
furan-2-yl 2,3-dimethylbenzoate
CID 175196099
furan-2-yl (1S,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
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2-(furan-2-yl)propanedioic acid
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Frequently Asked Questions

What is the IUPAC name of calcium;furan-2-yl hydrogen carbonate;hydride;hydrate?
The IUPAC name of calcium;furan-2-yl hydrogen carbonate;hydride;hydrate (CID 173498538) is calcium;furan-2-yl hydrogen carbonate;hydride;hydrate.
What is the SMILES notation for calcium;furan-2-yl hydrogen carbonate;hydride;hydrate?
The canonical SMILES for calcium;furan-2-yl hydrogen carbonate;hydride;hydrate is O.O=C(O)Oc1ccco1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;furan-2-yl hydrogen carbonate;hydride;hydrate?
The InChIKey is HXPISBBFPZRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O4.Ca.H2O.2H/c6-5(7)9-4-2-1-3-8-4;;;;/h1-3H,(H,6,7);;1H2;;/q;+2;;2*-1.
What are the key properties of calcium;furan-2-yl hydrogen carbonate;hydride;hydrate?
calcium;furan-2-yl hydrogen carbonate;hydride;hydrate has a molecular weight of 188.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;furan-2-yl hydrogen carbonate;hydride;hydrate is sourced from PubChem (CID 173498538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).