(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol

C6H14O6Si — CID 173027659

IUPAC(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@@H](O[SiH3])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H14O6Si/c7-1-2-3(8)4(9)5(12-13)6(10)11-2/h2-10H,1H2,13H3/t2-,3-,4+,5+,6?/m1/s1
InChIKeyDHLFBHSLTXMZME-QTVWNMPRSA-N
MW210.26 g/mol
LogP-3.92
Rot. Bonds2

About (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol

(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol (PubChem CID 173027659) has the molecular formula C6H14O6Si and a molecular weight of 210.26 g/mol. Its IUPAC name is (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
PubChem CID173027659
Molecular FormulaC6H14O6Si
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@@H](O[SiH3])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H14O6Si/c7-1-2-3(8)4(9)5(12-13)6(10)11-2/h2-10H,1H2,13H3/t2-,3-,4+,5+,6?/m1/s1
InChIKeyDHLFBHSLTXMZME-QTVWNMPRSA-N
XLogP-3.92
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-3.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(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
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(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
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol?
The IUPAC name of (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol (CID 173027659) is (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol.
What is the SMILES notation for (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol?
The canonical SMILES for (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol is OC[C@H]1OC(O)[C@@H](O[SiH3])[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol?
The InChIKey is DHLFBHSLTXMZME-QTVWNMPRSA-N. The full InChI is InChI=1S/C6H14O6Si/c7-1-2-3(8)4(9)5(12-13)6(10)11-2/h2-10H,1H2,13H3/t2-,3-,4+,5+,6?/m1/s1.
What are the key properties of (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol?
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol has a molecular weight of 210.26 g/mol, XLogP of -3.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol is sourced from PubChem (CID 173027659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).