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

C21H40O11 — CID 18664098

IUPAC(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
SMILESCOC[C@H]1O[C@@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[C@H]1O[C@H](COC)[C@@H](OC)[C@](C)(OC)[C@H]1OC
InChIInChI=1S/C21H40O11/c1-21(29-9)17(26-6)13(11-23-3)31-20(18(21)27-7)32-14-12(10-22-2)30-19(28-8)16(25-5)15(14)24-4/h12-20H,10-11H2,1-9H3/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21+/m1/s1
InChIKeyWCNREYBNNJMWJJ-LPYSQXSRSA-N
MW468.54 g/mol
LogP0.23
Rot. Bonds12

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

(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane (PubChem CID 18664098) has the molecular formula C21H40O11 and a molecular weight of 468.54 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
PubChem CID18664098
Molecular FormulaC21H40O11
Molecular Weight468.54 g/mol
Exact Mass468.26
IUPAC Name(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
SMILESCOC[C@H]1O[C@@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[C@H]1O[C@H](COC)[C@@H](OC)[C@](C)(OC)[C@H]1OC
InChIInChI=1S/C21H40O11/c1-21(29-9)17(26-6)13(11-23-3)31-20(18(21)27-7)32-14-12(10-22-2)30-19(28-8)16(25-5)15(14)24-4/h12-20H,10-11H2,1-9H3/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21+/m1/s1
InChIKeyWCNREYBNNJMWJJ-LPYSQXSRSA-N
XLogP0.23
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane?
The IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane (CID 18664098) is (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane is COC[C@H]1O[C@@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[C@H]1O[C@H](COC)[C@@H](OC)[C@](C)(OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane?
The InChIKey is WCNREYBNNJMWJJ-LPYSQXSRSA-N. The full InChI is InChI=1S/C21H40O11/c1-21(29-9)17(26-6)13(11-23-3)31-20(18(21)27-7)32-14-12(10-22-2)30-19(28-8)16(25-5)15(14)24-4/h12-20H,10-11H2,1-9H3/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane?
(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane has a molecular weight of 468.54 g/mol, XLogP of 0.23, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-4-methyl-6-[(2R,3R,4S,5R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane is sourced from PubChem (CID 18664098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).