sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride

C6H11NaO6 — CID 156610568

IUPACsodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride
SMILESO=C1OC(C(O)CO)C(O)C1O.[H-].[Na+]
InChIInChI=1S/C6H10O6.Na.H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2-5,7-10H,1H2;;/q;+1;-1
InChIKeyRBANRJFSOLWTLF-UHFFFAOYSA-N
MW202.14 g/mol
LogP-5.90
Rot. Bonds2

About sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride

sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride (PubChem CID 156610568) has the molecular formula C6H11NaO6 and a molecular weight of 202.14 g/mol. Its IUPAC name is sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride.

Molecular Properties

Compound Namesodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride
PubChem CID156610568
Molecular FormulaC6H11NaO6
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Namesodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride
SMILESO=C1OC(C(O)CO)C(O)C1O.[H-].[Na+]
InChIInChI=1S/C6H10O6.Na.H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2-5,7-10H,1H2;;/q;+1;-1
InChIKeyRBANRJFSOLWTLF-UHFFFAOYSA-N
XLogP-5.90
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-5.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride?
The IUPAC name of sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride (CID 156610568) is sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride.
What is the SMILES notation for sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride?
The canonical SMILES for sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride is O=C1OC(C(O)CO)C(O)C1O.[H-].[Na+].
What is the InChIKey of sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride?
The InChIKey is RBANRJFSOLWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.Na.H/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2-5,7-10H,1H2;;/q;+1;-1.
What are the key properties of sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride?
sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride has a molecular weight of 202.14 g/mol, XLogP of -5.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one;hydride is sourced from PubChem (CID 156610568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).