[3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

C30H39N3O23 — CID 158890882

About [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

[3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 158890882) has the molecular formula C30H39N3O23 and a molecular weight of 809.64 g/mol. Its IUPAC name is [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• PubChem CID: 158890882
• Molecular Formula: C30H39N3O23
• Molecular Weight: 809.64 g/mol
• Exact Mass: 809.20
• IUPAC Name: [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• SMILES: C=C1CCC(=O)N1OC(=O)OCC1OC(OC)C(OC(=O)ON2C(=O)CCC2=O)C(O)C1OC(=O)ON1C(=O)CCC1=O.COC1OC(CO)C(O)C(O)C1O
• InChI: InChI=1S/C23H25N3O17.C7H14O6/c1-10-3-4-12(27)24(10)41-21(33)37-9-11-18(39-22(34)42-25-13(28)5-6-14(25)29)17(32)19(20(36-2)38-11)40-23(35)43-26-15(30)7-8-16(26)31;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h11,17-20,32H,1,3-9H2,2H3;3-11H,2H2,1H3
• InChIKey: JEFJBIQSMLAQMW-UHFFFAOYSA-N
• XLogP: -3.47
• TPSA: 339.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.64
LogP ≤ 5	-3.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?

The IUPAC name of [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (CID 158890882) is [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

What is the SMILES notation for [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?

The canonical SMILES for [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is C=C1CCC(=O)N1OC(=O)OCC1OC(OC)C(OC(=O)ON2C(=O)CCC2=O)C(O)C1OC(=O)ON1C(=O)CCC1=O.COC1OC(CO)C(O)C(O)C1O.

What is the InChIKey of [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?

The InChIKey is JEFJBIQSMLAQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O17.C7H14O6/c1-10-3-4-12(27)24(10)41-21(33)37-9-11-18(39-22(34)42-25-13(28)5-6-14(25)29)17(32)19(20(36-2)38-11)40-23(35)43-26-15(30)7-8-16(26)31;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h11,17-20,32H,1,3-9H2,2H3;3-11H,2H2,1H3.

What are the key properties of [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?

[3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 809.64 g/mol, XLogP of -3.47, 10 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxy-6-methoxyoxan-2-yl]methyl (2-methylidene-5-oxopyrrolidin-1-yl) carbonate;2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 158890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).