(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

C10H16O6 — CID 118797968

IUPAC(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC#CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h1,6-14H,3-5H2/t6-,7-,8+,9-,10-/m1/s1
InChIKeyLYCIVKHZSWRECA-HOTMZDKISA-N
MW232.23 g/mol
LogP-2.17
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 118797968) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID118797968
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC#CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h1,6-14H,3-5H2/t6-,7-,8+,9-,10-/m1/s1
InChIKeyLYCIVKHZSWRECA-HOTMZDKISA-N
XLogP-2.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 118797968) is (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is C#CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LYCIVKHZSWRECA-HOTMZDKISA-N. The full InChI is InChI=1S/C10H16O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h1,6-14H,3-5H2/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 232.23 g/mol, XLogP of -2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 118797968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).