(2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one

C20H24O11 — CID 162805829

About (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one

(2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 162805829) has the molecular formula C20H24O11 and a molecular weight of 440.40 g/mol. Its IUPAC name is (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

• Compound Name: (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
• PubChem CID: 162805829
• Molecular Formula: C20H24O11
• Molecular Weight: 440.40 g/mol
• Exact Mass: 440.13
• IUPAC Name: (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
• SMILES: C[C@](O)([C@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1O
• InChI: InChI=1S/C20H24O11/c1-20(28,18(27)17-16(26)15(25)14(24)11(6-21)30-17)19-13(23)8-4-7-2-3-12(22)29-9(7)5-10(8)31-19/h2-5,11,13-19,21,23-28H,6H2,1H3/t11-,13-,14-,15+,16-,17+,18-,19-,20+/m1/s1
• InChIKey: FPRQUZLVVFFJDC-ZXQLJLOUSA-N
• XLogP: -2.46
• TPSA: 190.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	440.40
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one?

The IUPAC name of (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 162805829) is (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one.

What is the SMILES notation for (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one?

The canonical SMILES for (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one is C[C@](O)([C@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@H]1O.

What is the InChIKey of (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one?

The InChIKey is FPRQUZLVVFFJDC-ZXQLJLOUSA-N. The full InChI is InChI=1S/C20H24O11/c1-20(28,18(27)17-16(26)15(25)14(24)11(6-21)30-17)19-13(23)8-4-7-2-3-12(22)29-9(7)5-10(8)31-19/h2-5,11,13-19,21,23-28H,6H2,1H3/t11-,13-,14-,15+,16-,17+,18-,19-,20+/m1/s1.

What are the key properties of (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one?

(2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 440.40 g/mol, XLogP of -2.46, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-[(1R,2S)-1,2-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl]-3-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 162805829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).