sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride

C7H16ClFeNaO8 — CID 173361830

IUPACsodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride
SMILESCl.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.[Fe].[H-].[Na+]
InChIInChI=1S/C7H14O8.ClH.Fe.Na.H/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;;/h2-6,8-13H,1H2,(H,14,15);1H;;;/q;;;+1;-1/t2?,3-,4-,5+,6-;;;;/m1..../s1
InChIKeyVYRGMOZGRMAWAP-JMATUZOYSA-N
MW342.49 g/mol
LogP-6.60
Rot. Bonds6

About sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride

sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride (PubChem CID 173361830) has the molecular formula C7H16ClFeNaO8 and a molecular weight of 342.49 g/mol. Its IUPAC name is sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride.

Molecular Properties

Compound Namesodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride
PubChem CID173361830
Molecular FormulaC7H16ClFeNaO8
Molecular Weight342.49 g/mol
Exact Mass341.98
IUPAC Namesodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride
SMILESCl.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.[Fe].[H-].[Na+]
InChIInChI=1S/C7H14O8.ClH.Fe.Na.H/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;;/h2-6,8-13H,1H2,(H,14,15);1H;;;/q;;;+1;-1/t2?,3-,4-,5+,6-;;;;/m1..../s1
InChIKeyVYRGMOZGRMAWAP-JMATUZOYSA-N
XLogP-6.60
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 5-6.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118
CID 131846607
CID 131846607
potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173213444
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
CID 170920240
CID 170920240
CID 131881609
CID 131881609
magnesium;hydride;λ2-stannane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173075138
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129

Frequently Asked Questions

What is the IUPAC name of sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride?
The IUPAC name of sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride (CID 173361830) is sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride.
What is the SMILES notation for sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride?
The canonical SMILES for sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride is Cl.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.[Fe].[H-].[Na+].
What is the InChIKey of sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride?
The InChIKey is VYRGMOZGRMAWAP-JMATUZOYSA-N. The full InChI is InChI=1S/C7H14O8.ClH.Fe.Na.H/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;;/h2-6,8-13H,1H2,(H,14,15);1H;;;/q;;;+1;-1/t2?,3-,4-,5+,6-;;;;/m1..../s1.
What are the key properties of sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride?
sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride has a molecular weight of 342.49 g/mol, XLogP of -6.60, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoic acid;hydride;iron;hydrochloride is sourced from PubChem (CID 173361830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).