(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane

C24H46O13 — CID 101182912

About (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane

(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane (PubChem CID 101182912) has the molecular formula C24H46O13 and a molecular weight of 542.62 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
• PubChem CID: 101182912
• Molecular Formula: C24H46O13
• Molecular Weight: 542.62 g/mol
• Exact Mass: 542.29
• IUPAC Name: (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
• SMILES: COC[C@H]1O[C@@H](OCCOCCO[C@@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@@H](OC)[C@H]1OC
• InChI: InChI=1S/C24H46O13/c1-25-13-15-17(27-3)19(29-5)21(31-7)23(36-15)34-11-9-33-10-12-35-24-22(32-8)20(30-6)18(28-4)16(37-24)14-26-2/h15-24H,9-14H2,1-8H3/t15-,16-,17+,18+,19+,20+,21-,22-,23-,24-/m1/s1
• InChIKey: KKXXGTUGTHIQFG-RYMJVJABSA-N
• XLogP: -0.13
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.62
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane?

The IUPAC name of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane (CID 101182912) is (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane.

What is the SMILES notation for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane?

The canonical SMILES for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane is COC[C@H]1O[C@@H](OCCOCCO[C@@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@@H](OC)[C@H]1OC.

What is the InChIKey of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane?

The InChIKey is KKXXGTUGTHIQFG-RYMJVJABSA-N. The full InChI is InChI=1S/C24H46O13/c1-25-13-15-17(27-3)19(29-5)21(31-7)23(36-15)34-11-9-33-10-12-35-24-22(32-8)20(30-6)18(28-4)16(37-24)14-26-2/h15-24H,9-14H2,1-8H3/t15-,16-,17+,18+,19+,20+,21-,22-,23-,24-/m1/s1.

What are the key properties of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane?

(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane has a molecular weight of 542.62 g/mol, XLogP of -0.13, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane is sourced from PubChem (CID 101182912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).