(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane

C21H42O11 — CID 163019323

IUPAC(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane
SMILESCOC[C@H](OC)[C@H](OC)[C@H](O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)[C@@H](COC)OC
InChIInChI=1S/C21H42O11/c1-22-10-13(25-4)16(27-6)18(14(26-5)11-23-2)32-21-20(30-9)19(29-8)17(28-7)15(31-21)12-24-3/h13-21H,10-12H2,1-9H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-/m0/s1
InChIKeyQORZOJLEBCJYBI-OJELLXEISA-N
MW470.56 g/mol
LogP0.13
Rot. Bonds17

About (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane

(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane (PubChem CID 163019323) has the molecular formula C21H42O11 and a molecular weight of 470.56 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane
PubChem CID163019323
Molecular FormulaC21H42O11
Molecular Weight470.56 g/mol
Exact Mass470.27
IUPAC Name(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane
SMILESCOC[C@H](OC)[C@H](OC)[C@H](O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)[C@@H](COC)OC
InChIInChI=1S/C21H42O11/c1-22-10-13(25-4)16(27-6)18(14(26-5)11-23-2)32-21-20(30-9)19(29-8)17(28-7)15(31-21)12-24-3/h13-21H,10-12H2,1-9H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-/m0/s1
InChIKeyQORZOJLEBCJYBI-OJELLXEISA-N
XLogP0.13
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane?
The IUPAC name of (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane (CID 163019323) is (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane.
What is the SMILES notation for (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane?
The canonical SMILES for (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane is COC[C@H](OC)[C@H](OC)[C@H](O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)[C@@H](COC)OC.
What is the InChIKey of (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane?
The InChIKey is QORZOJLEBCJYBI-OJELLXEISA-N. The full InChI is InChI=1S/C21H42O11/c1-22-10-13(25-4)16(27-6)18(14(26-5)11-23-2)32-21-20(30-9)19(29-8)17(28-7)15(31-21)12-24-3/h13-21H,10-12H2,1-9H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane?
(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane has a molecular weight of 470.56 g/mol, XLogP of 0.13, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane is sourced from PubChem (CID 163019323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).