[(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

C100H96O44 — CID 159894121

About [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

[(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (PubChem CID 159894121) has the molecular formula C100H96O44 and a molecular weight of 2001.82 g/mol. Its IUPAC name is [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

Molecular Properties

• Compound Name: [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• PubChem CID: 159894121
• Molecular Formula: C100H96O44
• Molecular Weight: 2001.82 g/mol
• Exact Mass: 2000.53
• IUPAC Name: [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• SMILES: CC(C)Oc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O.CC(C)Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2.CC(C)Oc1cc(O)cc2c1C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2.CC(C)Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O
• InChI: InChI=1S/4C25H24O11/c1-10(2)34-20-6-11(3-18(30)23(20)32)24-21(9-14-15(27)7-13(26)8-19(14)35-24)36-25(33)12-4-16(28)22(31)17(29)5-12;1-10(2)34-24-18(30)3-11(4-19(24)31)23-21(9-14-15(27)7-13(26)8-20(14)35-23)36-25(33)12-5-16(28)22(32)17(29)6-12;1-10(2)34-13-7-15(26)14-9-21(36-25(33)12-5-18(29)23(32)19(30)6-12)24(35-20(14)8-13)11-3-16(27)22(31)17(28)4-11;1-10(2)34-19-7-13(26)8-20-14(19)9-21(24(35-20)11-3-15(27)22(31)16(28)4-11)36-25(33)12-5-17(29)23(32)18(30)6-12/h3-8,10,21,24,26-32H,9H2,1-2H3;3-8,10,21,23,26-32H,9H2,1-2H3;2*3-8,10,21,24,26-32H,9H2,1-2H3/t21-,24-;21-,23-;2*21-,24-/m1111/s1
• InChIKey: NVCZXOHDKWRXFF-ZOEHVQKMSA-N
• XLogP: 13.26
• TPSA: 745.48 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 44
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.82
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The IUPAC name of [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate (CID 159894121) is [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.

What is the SMILES notation for [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The canonical SMILES for [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is CC(C)Oc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O.CC(C)Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2.CC(C)Oc1cc(O)cc2c1C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2.CC(C)Oc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O.

What is the InChIKey of [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

The InChIKey is NVCZXOHDKWRXFF-ZOEHVQKMSA-N. The full InChI is InChI=1S/4C25H24O11/c1-10(2)34-20-6-11(3-18(30)23(20)32)24-21(9-14-15(27)7-13(26)8-19(14)35-24)36-25(33)12-4-16(28)22(31)17(29)5-12;1-10(2)34-24-18(30)3-11(4-19(24)31)23-21(9-14-15(27)7-13(26)8-20(14)35-23)36-25(33)12-5-16(28)22(32)17(29)6-12;1-10(2)34-13-7-15(26)14-9-21(36-25(33)12-5-18(29)23(32)19(30)6-12)24(35-20(14)8-13)11-3-16(27)22(31)17(28)4-11;1-10(2)34-19-7-13(26)8-20-14(19)9-21(24(35-20)11-3-15(27)22(31)16(28)4-11)36-25(33)12-5-17(29)23(32)18(30)6-12/h3-8,10,21,24,26-32H,9H2,1-2H3;3-8,10,21,23,26-32H,9H2,1-2H3;2*3-8,10,21,24,26-32H,9H2,1-2H3/t21-,24-;21-,23-;2*21-,24-/m1111/s1.

What are the key properties of [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate?

[(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate has a molecular weight of 2001.82 g/mol, XLogP of 13.26, 20 rotatable bonds, 28 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-2-(3,4-dihydroxy-5-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-2-(3,5-dihydroxy-4-propan-2-yloxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-5-hydroxy-7-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;[(2R,3R)-7-hydroxy-5-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is sourced from PubChem (CID 159894121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).