(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane

C19H22O6 — CID 91577910

IUPAC(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
SMILESC#CCOC[C@H]1O[C@@H](OC)[C@H](OCC#C)[C@@H](OCC#C)[C@H]1OCC#C
InChIInChI=1S/C19H22O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h1-4,15-19H,10-14H2,5H3/t15-,16+,17+,18-,19-/m1/s1
InChIKeyDEESWTWQNHIQJZ-ICBNADEASA-N
MW346.38 g/mol
LogP0.06
Rot. Bonds10

About (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane

(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane (PubChem CID 91577910) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
PubChem CID91577910
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
SMILESC#CCOC[C@H]1O[C@@H](OC)[C@H](OCC#C)[C@@H](OCC#C)[C@H]1OCC#C
InChIInChI=1S/C19H22O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h1-4,15-19H,10-14H2,5H3/t15-,16+,17+,18-,19-/m1/s1
InChIKeyDEESWTWQNHIQJZ-ICBNADEASA-N
XLogP0.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.06
H-Bond Donors ≤ 50
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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Related Compounds

Methylcellulose (4000 cps)
CID 51063134
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 12900878
alpha-D-Galactopyranoside, methyl 2,3,4,6-tetra-O-methyl-
CID 12900879
1,3,4,6-Tetra-O-methylhex-2-ulofuranosyl 2,3,4,6-tetra-O-methylhexopyranoside
CID 219887
methyl 2,3,4,6-tetra-O-methyl-alpha-D-glucopyranoside
CID 95143
Methyl 2,3,4,6-tetra-O-methyl-alpha-D-mannopyranoside
CID 102374
Glucopyranoside, methyl tetra-O-methyl-, beta-D-
CID 10911926
Propargyl alpha-L-fucopyranoside
CID 102181615
(2R,3R,4S,5S,6R)-2-[(3R)-3-hydroxydeca-4,6,8-triynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10892676
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-1-hydroxytrideca-5,7,9,11-tetrayn-2-yl]oxyoxane-3,4,5-triol
CID 54671425
Fuscuyne
CID 146682861
(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane
CID 162900727

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane (CID 91577910) is (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane is C#CCOC[C@H]1O[C@@H](OC)[C@H](OCC#C)[C@@H](OCC#C)[C@H]1OCC#C.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The InChIKey is DEESWTWQNHIQJZ-ICBNADEASA-N. The full InChI is InChI=1S/C19H22O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h1-4,15-19H,10-14H2,5H3/t15-,16+,17+,18-,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane has a molecular weight of 346.38 g/mol, XLogP of 0.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane is sourced from PubChem (CID 91577910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).