(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane

C18H34O5 — CID 59294267

IUPAC(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane
SMILESCO[C@@H]1OC[C@H](COC[C@@H]2OC[C@H](OC)[C@H](C)C2C)[C@H](C)C1C
InChIInChI=1S/C18H34O5/c1-11-14(4)18(20-6)23-8-15(11)7-21-9-17-13(3)12(2)16(19-5)10-22-17/h11-18H,7-10H2,1-6H3/t11-,12-,13?,14?,15+,16+,17+,18-/m1/s1
InChIKeyLQLMWJMUVKMWSL-HXKNXYCSSA-N
MW330.47 g/mol
LogP2.58
Rot. Bonds6

About (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane

(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane (PubChem CID 59294267) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane.

Molecular Properties

Compound Name(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane
PubChem CID59294267
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane
SMILESCO[C@@H]1OC[C@H](COC[C@@H]2OC[C@H](OC)[C@H](C)C2C)[C@H](C)C1C
InChIInChI=1S/C18H34O5/c1-11-14(4)18(20-6)23-8-15(11)7-21-9-17-13(3)12(2)16(19-5)10-22-17/h11-18H,7-10H2,1-6H3/t11-,12-,13?,14?,15+,16+,17+,18-/m1/s1
InChIKeyLQLMWJMUVKMWSL-HXKNXYCSSA-N
XLogP2.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane?
The IUPAC name of (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane (CID 59294267) is (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane.
What is the SMILES notation for (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane?
The canonical SMILES for (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane is CO[C@@H]1OC[C@H](COC[C@@H]2OC[C@H](OC)[C@H](C)C2C)[C@H](C)C1C.
What is the InChIKey of (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane?
The InChIKey is LQLMWJMUVKMWSL-HXKNXYCSSA-N. The full InChI is InChI=1S/C18H34O5/c1-11-14(4)18(20-6)23-8-15(11)7-21-9-17-13(3)12(2)16(19-5)10-22-17/h11-18H,7-10H2,1-6H3/t11-,12-,13?,14?,15+,16+,17+,18-/m1/s1.
What are the key properties of (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane?
(2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane has a molecular weight of 330.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-methoxy-5-[[(2R,4R,5R)-5-methoxy-3,4-dimethyloxan-2-yl]methoxymethyl]-3,4-dimethyloxane is sourced from PubChem (CID 59294267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).