CID 170920240

C7H18NaO10 — CID 170920240

IUPAC—
SMILESO.O.O=C(O)C(O)C(O)C(O)C(O)C(O)CO.[Na]
InChIInChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2
InChIKeyABXFZKJVGRYMMM-UHFFFAOYSA-N
MW285.20 g/mol
LogP-6.16
Rot. Bonds6

About CID 170920240

CID 170920240 (PubChem CID 170920240) has the molecular formula C7H18NaO10 and a molecular weight of 285.20 g/mol.

Molecular Properties

Compound NameCID 170920240
PubChem CID170920240
Molecular FormulaC7H18NaO10
Molecular Weight285.20 g/mol
Exact Mass285.08
IUPAC Name—
SMILESO.O.O=C(O)C(O)C(O)C(O)C(O)C(O)CO.[Na]
InChIInChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2
InChIKeyABXFZKJVGRYMMM-UHFFFAOYSA-N
XLogP-6.16
TPSA221.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.20
LogP ≤ 5-6.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

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2,3,4,5,6-pentahydroxyhexanoic acid;samarium
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pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
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Frequently Asked Questions

What is the IUPAC name of CID 170920240?
The IUPAC name of CID 170920240 (CID 170920240) is not available.
What is the SMILES notation for CID 170920240?
The canonical SMILES for CID 170920240 is O.O.O=C(O)C(O)C(O)C(O)C(O)C(O)CO.[Na].
What is the InChIKey of CID 170920240?
The InChIKey is ABXFZKJVGRYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2.
What are the key properties of CID 170920240?
CID 170920240 has a molecular weight of 285.20 g/mol, XLogP of -6.16, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170920240 is sourced from PubChem (CID 170920240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).