[(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

C65H103NO38 — CID 58672831

About [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

[(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 58672831) has the molecular formula C65H103NO38 and a molecular weight of 1506.51 g/mol. Its IUPAC name is [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 58672831
• Molecular Formula: C65H103NO38
• Molecular Weight: 1506.51 g/mol
• Exact Mass: 1505.62
• IUPAC Name: [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• SMILES: COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@@H](O[C@H]4C(CO)O[C@@H](O)C(OC)[C@H]4OC)O[C@@H]3COC)O[C@@H]2COC)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)C(O)C3O)C(O)C2O)[C@H](OC)C1OC
• InChI: InChI=1S/C65H103NO38/c1-26(69)91-25-35-41(99-60-39(73)37(71)36(70)30(20-67)94-60)38(72)40(74)61(95-35)100-42-29(19-66-57(75)27-17-15-16-18-28(27)58(66)76)93-62(53(87-11)48(42)82-6)102-44-32(22-78-2)97-64(55(89-13)49(44)83-7)104-46-34(24-80-4)98-65(56(90-14)51(46)85-9)103-45-33(23-79-3)96-63(54(88-12)50(45)84-8)101-43-31(21-68)92-59(77)52(86-10)47(43)81-5/h15-18,29-56,59-65,67-68,70-74,77H,19-25H2,1-14H3/t29?,30-,31?,32?,33-,34-,35-,36-,37?,38?,39?,40?,41-,42+,43+,44+,45-,46-,47+,48+,49+,50?,51?,52?,53?,54?,55?,56?,59-,60-,61-,62+,63-,64+,65-/m1/s1
• InChIKey: HQMHXMMHXDWUPX-AUOGYPIASA-N
• XLogP: -5.90
• TPSA: 465.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.51
LogP ≤ 5	-5.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (CID 58672831) is [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@@H](O[C@H]4C(CO)O[C@@H](O)C(OC)[C@H]4OC)O[C@@H]3COC)O[C@@H]2COC)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)C(O)C3O)C(O)C2O)[C@H](OC)C1OC.

What is the InChIKey of [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

The InChIKey is HQMHXMMHXDWUPX-AUOGYPIASA-N. The full InChI is InChI=1S/C65H103NO38/c1-26(69)91-25-35-41(99-60-39(73)37(71)36(70)30(20-67)94-60)38(72)40(74)61(95-35)100-42-29(19-66-57(75)27-17-15-16-18-28(27)58(66)76)93-62(53(87-11)48(42)82-6)102-44-32(22-78-2)97-64(55(89-13)49(44)83-7)104-46-34(24-80-4)98-65(56(90-14)51(46)85-9)103-45-33(23-79-3)96-63(54(88-12)50(45)84-8)101-43-31(21-68)92-59(77)52(86-10)47(43)81-5/h15-18,29-56,59-65,67-68,70-74,77H,19-25H2,1-14H3/t29?,30-,31?,32?,33-,34-,35-,36-,37?,38?,39?,40?,41-,42+,43+,44+,45-,46-,47+,48+,49+,50?,51?,52?,53?,54?,55?,56?,59-,60-,61-,62+,63-,64+,65-/m1/s1.

What are the key properties of [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?

[(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 1506.51 g/mol, XLogP of -5.90, 34 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 58672831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).