sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

C8H9NaO5-2 — CID 155803776

IUPACsodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])C1C2CCC(O2)C1C(=O)[O-].[H-].[Na+]
InChIInChI=1S/C8H10O5.Na.H/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;+1;-1/p-2
InChIKeySBFIRQZRZSCIKO-UHFFFAOYSA-L
MW208.14 g/mol
LogP-5.60
Rot. Bonds2

About sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 155803776) has the molecular formula C8H9NaO5-2 and a molecular weight of 208.14 g/mol. Its IUPAC name is sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namesodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID155803776
Molecular FormulaC8H9NaO5-2
Molecular Weight208.14 g/mol
Exact Mass208.04
IUPAC Namesodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])C1C2CCC(O2)C1C(=O)[O-].[H-].[Na+]
InChIInChI=1S/C8H10O5.Na.H/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;+1;-1/p-2
InChIKeySBFIRQZRZSCIKO-UHFFFAOYSA-L
XLogP-5.60
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-5.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethylazanium;3-(dimethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 47012638
(1S,4R)-3-(piperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58520546
3-(butan-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 74532121
(1R,4S)-3-(4-methylpiperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 45101432
(1R,2R,3S,4S)-3-(4-methylpiperazin-4-ium-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 18558123
(1S,2R,3R,4R)-3-[(4-hydroxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 11896543
potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 85469394
(1R,2R,3R,4S)-3-[(4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 18390515
disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate;propan-2-yl N-phenylcarbamate
CID 23618870
(1R,2R,3R,4S)-3-[(3,4-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 18557979
3-(thiophen-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 3681927
(1R,2R,3R,4S)-3-[(3-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 2166755

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 155803776) is sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is O=C([O-])C1C2CCC(O2)C1C(=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is SBFIRQZRZSCIKO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O5.Na.H/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;+1;-1/p-2.
What are the key properties of sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 208.14 g/mol, XLogP of -5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 155803776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).