(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one

C27H32O15 — CID 162853283

About (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one

(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one (PubChem CID 162853283) has the molecular formula C27H32O15 and a molecular weight of 596.54 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
• PubChem CID: 162853283
• Molecular Formula: C27H32O15
• Molecular Weight: 596.54 g/mol
• Exact Mass: 596.17
• IUPAC Name: (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
• SMILES: O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)c([C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c(O)c2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C27H32O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-4,11-13,17-18,21-24,26-30,32-39H,5-7H2/t11-,12+,13+,17-,18-,21-,22-,23+,24+,26-,27-/m1/s1
• InChIKey: KLDARLGFVGIIIL-JRGOECAESA-N
• XLogP: -2.46
• TPSA: 267.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	596.54
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one?

The IUPAC name of (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one (CID 162853283) is (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one.

What is the SMILES notation for (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one?

The canonical SMILES for (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one is O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)c([C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c(O)c2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one?

The InChIKey is KLDARLGFVGIIIL-JRGOECAESA-N. The full InChI is InChI=1S/C27H32O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-4,11-13,17-18,21-24,26-30,32-39H,5-7H2/t11-,12+,13+,17-,18-,21-,22-,23+,24+,26-,27-/m1/s1.

What are the key properties of (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one?

(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one has a molecular weight of 596.54 g/mol, XLogP of -2.46, 5 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).