[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate

C20H38O15S2 — CID 101174302

About [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate

[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate (PubChem CID 101174302) has the molecular formula C20H38O15S2 and a molecular weight of 582.64 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate
• PubChem CID: 101174302
• Molecular Formula: C20H38O15S2
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.17
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate
• SMILES: CO[C@@H]1[C@@H](OC)[C@@H](O[C@H]2O[C@H](COS(C)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]2OC)O[C@H](COS(C)(=O)=O)[C@H]1OC
• InChI: InChI=1S/C20H38O15S2/c1-25-13-11(9-31-36(7,21)22)33-19(17(29-5)15(13)27-3)35-20-18(30-6)16(28-4)14(26-2)12(34-20)10-32-37(8,23)24/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
• InChIKey: RDWZRXKEIDDKRX-XSVWGIRKSA-N
• XLogP: -1.50
• TPSA: 169.81 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	-1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate (CID 101174302) is [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate is CO[C@@H]1[C@@H](OC)[C@@H](O[C@H]2O[C@H](COS(C)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]2OC)O[C@H](COS(C)(=O)=O)[C@H]1OC.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate?

The InChIKey is RDWZRXKEIDDKRX-XSVWGIRKSA-N. The full InChI is InChI=1S/C20H38O15S2/c1-25-13-11(9-31-36(7,21)22)33-19(17(29-5)15(13)27-3)35-20-18(30-6)16(28-4)14(26-2)12(34-20)10-32-37(8,23)24/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate?

[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate has a molecular weight of 582.64 g/mol, XLogP of -1.50, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 101174302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).