[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol

C16H20O6 — CID 156689108

IUPAC[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
SMILESC#CCO[C@@H]1[C@@H](OCC#C)[C@H](OC)O[C@H](CO)[C@H]1OCC#C
InChIInChI=1S/C16H20O6/c1-5-8-19-13-12(11-17)22-16(18-4)15(21-10-7-3)14(13)20-9-6-2/h1-3,12-17H,8-11H2,4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyCBWKHGLZRXBELX-IBEHDNSVSA-N
MW308.33 g/mol
LogP-0.59
Rot. Bonds8

About [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol (PubChem CID 156689108) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
PubChem CID156689108
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
SMILESC#CCO[C@@H]1[C@@H](OCC#C)[C@H](OC)O[C@H](CO)[C@H]1OCC#C
InChIInChI=1S/C16H20O6/c1-5-8-19-13-12(11-17)22-16(18-4)15(21-10-7-3)14(13)20-9-6-2/h1-3,12-17H,8-11H2,4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyCBWKHGLZRXBELX-IBEHDNSVSA-N
XLogP-0.59
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol with MolForge

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Related Compounds

[(3R,4R,5R)-3-(cyclohexylmethoxy)-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]methanol
CID 142493949
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-ynoxyoxan-2-yl]methanol
CID 102412962
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
CID 53467505
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
CID 11146184
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
CID 10890525
(2S,5R)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-ynoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121286096
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
[(2R,3S,4R)-3,5-dimethoxy-4-octadecoxyoxolan-2-yl]methanol
CID 22828524
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol (CID 156689108) is [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol is C#CCO[C@@H]1[C@@H](OCC#C)[C@H](OC)O[C@H](CO)[C@H]1OCC#C.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol?
The InChIKey is CBWKHGLZRXBELX-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H20O6/c1-5-8-19-13-12(11-17)22-16(18-4)15(21-10-7-3)14(13)20-9-6-2/h1-3,12-17H,8-11H2,4H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol?
[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol has a molecular weight of 308.33 g/mol, XLogP of -0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol is sourced from PubChem (CID 156689108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).