[(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate

C37H66O20 — CID 10373295

About [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate

[(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate (PubChem CID 10373295) has the molecular formula C37H66O20 and a molecular weight of 830.91 g/mol. Its IUPAC name is [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate.

Molecular Properties

• Compound Name: [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate
• PubChem CID: 10373295
• Molecular Formula: C37H66O20
• Molecular Weight: 830.91 g/mol
• Exact Mass: 830.41
• IUPAC Name: [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate
• SMILES: C=C[C@@H](O[C@H]1O[C@H](COC)[C@@H](O[C@H]2O[C@H](COC)[C@@H](O[C@H]3O[C@H](COC)[C@@H](O)[C@H](OC)[C@H]3OC)C(OC)[C@H]2OC)[C@H](OC)[C@H]1OC)[C@H](OC)[C@H](COC(C)=O)OC
• InChI: InChI=1S/C37H66O20/c1-14-20(26(44-7)22(43-6)18-51-19(2)38)52-35-33(49-12)30(46-9)27(23(54-35)16-41-4)57-37-34(50-13)31(47-10)28(24(55-37)17-42-5)56-36-32(48-11)29(45-8)25(39)21(53-36)15-40-3/h14,20-37,39H,1,15-18H2,2-13H3/t20-,21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31?,32-,33-,34-,35+,36-,37-/m1/s1
• InChIKey: DXOXPJGKRRRFHW-LPHGKWTFSA-N
• XLogP: -0.51
• TPSA: 203.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.91
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate?

The IUPAC name of [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate (CID 10373295) is [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate.

What is the SMILES notation for [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate?

The canonical SMILES for [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate is C=C[C@@H](O[C@H]1O[C@H](COC)[C@@H](O[C@H]2O[C@H](COC)[C@@H](O[C@H]3O[C@H](COC)[C@@H](O)[C@H](OC)[C@H]3OC)C(OC)[C@H]2OC)[C@H](OC)[C@H]1OC)[C@H](OC)[C@H](COC(C)=O)OC.

What is the InChIKey of [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate?

The InChIKey is DXOXPJGKRRRFHW-LPHGKWTFSA-N. The full InChI is InChI=1S/C37H66O20/c1-14-20(26(44-7)22(43-6)18-51-19(2)38)52-35-33(49-12)30(46-9)27(23(54-35)16-41-4)57-37-34(50-13)31(47-10)28(24(55-37)17-42-5)56-36-32(48-11)29(45-8)25(39)21(53-36)15-40-3/h14,20-37,39H,1,15-18H2,2-13H3/t20-,21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31?,32-,33-,34-,35+,36-,37-/m1/s1.

What are the key properties of [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate?

[(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate has a molecular weight of 830.91 g/mol, XLogP of -0.51, 25 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R)-4-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-2,3-dimethoxyhex-5-enyl] acetate is sourced from PubChem (CID 10373295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).