[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

C20H24O9 — CID 90720159

IUPAC[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO)O2
InChIInChI=1S/C20H24O9/c1-8-9(2)15-11(10(3)13(8)23)5-6-20(4,29-15)19(26)28-17-14(24)18(25)27-16(17)12(22)7-21/h12,16-17,21-23H,5-7H2,1-4H3/t12-,16+,17?,20?/m0/s1
InChIKeyFUZJXNCLVDXZOD-MVVOKTISSA-N
MW408.40 g/mol
LogP0.16
Rot. Bonds4

About [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (PubChem CID 90720159) has the molecular formula C20H24O9 and a molecular weight of 408.40 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
PubChem CID90720159
Molecular FormulaC20H24O9
Molecular Weight408.40 g/mol
Exact Mass408.14
IUPAC Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO)O2
InChIInChI=1S/C20H24O9/c1-8-9(2)15-11(10(3)13(8)23)5-6-20(4,29-15)19(26)28-17-14(24)18(25)27-16(17)12(22)7-21/h12,16-17,21-23H,5-7H2,1-4H3/t12-,16+,17?,20?/m0/s1
InChIKeyFUZJXNCLVDXZOD-MVVOKTISSA-N
XLogP0.16
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (CID 90720159) is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO)O2.
What is the InChIKey of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The InChIKey is FUZJXNCLVDXZOD-MVVOKTISSA-N. The full InChI is InChI=1S/C20H24O9/c1-8-9(2)15-11(10(3)13(8)23)5-6-20(4,29-15)19(26)28-17-14(24)18(25)27-16(17)12(22)7-21/h12,16-17,21-23H,5-7H2,1-4H3/t12-,16+,17?,20?/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate has a molecular weight of 408.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 90720159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).