sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate

C6H11NaO6 — CID 67553377

IUPACsodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate
SMILES[Na+].[O-]C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11O6.Na/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-10H,1H2;/q-1;+1/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyRNHQBJBBUHFNRD-BMZZJELJSA-N
MW202.14 g/mol
LogP-6.85
Rot. Bonds1

About sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate

sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate (PubChem CID 67553377) has the molecular formula C6H11NaO6 and a molecular weight of 202.14 g/mol. Its IUPAC name is sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate.

Molecular Properties

Compound Namesodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate
PubChem CID67553377
Molecular FormulaC6H11NaO6
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Namesodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate
SMILES[Na+].[O-]C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11O6.Na/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-10H,1H2;/q-1;+1/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyRNHQBJBBUHFNRD-BMZZJELJSA-N
XLogP-6.85
TPSA113.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-6.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-olate
CID 21121205
(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate
CID 100920606
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593

Frequently Asked Questions

What is the IUPAC name of sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate?
The IUPAC name of sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate (CID 67553377) is sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate.
What is the SMILES notation for sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate?
The canonical SMILES for sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate is [Na+].[O-]C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate?
The InChIKey is RNHQBJBBUHFNRD-BMZZJELJSA-N. The full InChI is InChI=1S/C6H11O6.Na/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-10H,1H2;/q-1;+1/t2-,3-,4+,5-,6?;/m1./s1.
What are the key properties of sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate?
sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate has a molecular weight of 202.14 g/mol, XLogP of -6.85, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate is sourced from PubChem (CID 67553377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).