4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate

C95H112O53 — CID 159045140

About 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate

4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate (PubChem CID 159045140) has the molecular formula C95H112O53 and a molecular weight of 2101.89 g/mol. Its IUPAC name is 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate.

Molecular Properties

• Compound Name: 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate
• PubChem CID: 159045140
• Molecular Formula: C95H112O53
• Molecular Weight: 2101.89 g/mol
• Exact Mass: 2100.61
• IUPAC Name: 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC1COC2C(OC(=O)C(=C)C)COC12.C=C(C)C(=O)OCC(O)COC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)OCC(O)COC(=O)C(=C)C)COC12.C=CC(=O)OC1COC2C(OC(=O)C=C)COC12.C=CC(=O)OCC(O)COC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)OCC(O)COC(=O)C=C)COC12.CC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)O)COC12
• InChI: InChI=1S/C28H34O16.C26H30O16.C15H16O9.C14H18O6.C12H14O6/c1-15(2)27(35)41-11-17(29)9-37-21(31)5-7-23(33)43-19-13-39-26-20(14-40-25(19)26)44-24(34)8-6-22(32)38-10-18(30)12-42-28(36)16(3)4;1-3-19(29)35-9-15(27)11-37-21(31)5-7-23(33)41-17-13-39-26-18(14-40-25(17)26)42-24(34)8-6-22(32)38-12-16(28)10-36-20(30)4-2;1-8(16)2-4-12(19)23-9-6-21-15-10(7-22-14(9)15)24-13(20)5-3-11(17)18;1-7(2)13(15)19-9-5-17-12-10(6-18-11(9)12)20-14(16)8(3)4;1-3-9(13)17-7-5-15-12-8(6-16-11(7)12)18-10(14)4-2/h5-8,17-20,25-26,29-30H,1,3,9-14H2,2,4H3;3-8,15-18,25-28H,1-2,9-14H2;2-5,9-10,14-15H,6-7H2,1H3,(H,17,18);9-12H,1,3,5-6H2,2,4H3;3-4,7-8,11-12H,1-2,5-6H2/b2*7-5-,8-6-;4-2-,5-3-
• InChIKey: JWODGDKBIFTMLG-ZJJWFEQHSA-N
• XLogP: -3.11
• TPSA: 700.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 52
• Rotatable Bonds: 46
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2101.89
LogP ≤ 5	-3.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate?

The IUPAC name of 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate (CID 159045140) is 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate.

What is the SMILES notation for 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate?

The canonical SMILES for 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate is C=C(C)C(=O)OC1COC2C(OC(=O)C(=C)C)COC12.C=C(C)C(=O)OCC(O)COC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)OCC(O)COC(=O)C(=C)C)COC12.C=CC(=O)OC1COC2C(OC(=O)C=C)COC12.C=CC(=O)OCC(O)COC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)OCC(O)COC(=O)C=C)COC12.CC(=O)/C=C\C(=O)OC1COC2C(OC(=O)/C=C\C(=O)O)COC12.

What is the InChIKey of 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate?

The InChIKey is JWODGDKBIFTMLG-ZJJWFEQHSA-N. The full InChI is InChI=1S/C28H34O16.C26H30O16.C15H16O9.C14H18O6.C12H14O6/c1-15(2)27(35)41-11-17(29)9-37-21(31)5-7-23(33)43-19-13-39-26-20(14-40-25(19)26)44-24(34)8-6-22(32)38-10-18(30)12-42-28(36)16(3)4;1-3-19(29)35-9-15(27)11-37-21(31)5-7-23(33)41-17-13-39-26-18(14-40-25(17)26)42-24(34)8-6-22(32)38-12-16(28)10-36-20(30)4-2;1-8(16)2-4-12(19)23-9-6-21-15-10(7-22-14(9)15)24-13(20)5-3-11(17)18;1-7(2)13(15)19-9-5-17-12-10(6-18-11(9)12)20-14(16)8(3)4;1-3-9(13)17-7-5-15-12-8(6-16-11(7)12)18-10(14)4-2/h5-8,17-20,25-26,29-30H,1,3,9-14H2,2,4H3;3-8,15-18,25-28H,1-2,9-14H2;2-5,9-10,14-15H,6-7H2,1H3,(H,17,18);9-12H,1,3,5-6H2,2,4H3;3-4,7-8,11-12H,1-2,5-6H2/b2*7-5-,8-6-;4-2-,5-3-;;.

What are the key properties of 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate?

4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate has a molecular weight of 2101.89 g/mol, XLogP of -3.11, 46 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-[6-[(Z)-4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (Z)-but-2-enedioate;4-O-[6-[(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-O-(2-hydroxy-3-prop-2-enoyloxypropyl) (Z)-but-2-enedioate;[6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate;(Z)-4-oxo-4-[[3-[(Z)-4-oxopent-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]but-2-enoic acid;(6-prop-2-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) prop-2-enoate is sourced from PubChem (CID 159045140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).