(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one

C14H26O10 — CID 90926658

IUPAC(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one
SMILESCOCOC[C@H]1OC(=O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C14H26O10/c1-16-6-20-5-10-11(21-7-17-2)12(22-8-18-3)13(14(15)24-10)23-9-19-4/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyLCHSOSQYOUMEMA-FVCCEPFGSA-N
MW354.35 g/mol
LogP-0.50
Rot. Bonds13

About (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one

(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one (PubChem CID 90926658) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one
PubChem CID90926658
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one
SMILESCOCOC[C@H]1OC(=O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C14H26O10/c1-16-6-20-5-10-11(21-7-17-2)12(22-8-18-3)13(14(15)24-10)23-9-19-4/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyLCHSOSQYOUMEMA-FVCCEPFGSA-N
XLogP-0.50
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one (CID 90926658) is (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one is COCOC[C@H]1OC(=O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC.
What is the InChIKey of (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one?
The InChIKey is LCHSOSQYOUMEMA-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H26O10/c1-16-6-20-5-10-11(21-7-17-2)12(22-8-18-3)13(14(15)24-10)23-9-19-4/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one?
(3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one has a molecular weight of 354.35 g/mol, XLogP of -0.50, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-one is sourced from PubChem (CID 90926658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).