(2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol

C19H26O11 — CID 134839377

About (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol

(2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 134839377) has the molecular formula C19H26O11 and a molecular weight of 430.41 g/mol. Its IUPAC name is (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

• Compound Name: (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol
• PubChem CID: 134839377
• Molecular Formula: C19H26O11
• Molecular Weight: 430.41 g/mol
• Exact Mass: 430.15
• IUPAC Name: (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol
• SMILES: OCC1O[C@@H](O)C(O)C(O)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1O
• InChI: InChI=1S/C19H26O11/c20-6-9-15(11(21)13(23)17(25)27-9)30-19-14(24)12(22)16-10(28-19)7-26-18(29-16)8-4-2-1-3-5-8/h1-5,9-25H,6-7H2/t9?,10?,11?,12?,13?,14?,15-,16-,17-,18?,19+/m1/s1
• InChIKey: FDSQLLVSEWZNNT-YBMKTCJLSA-N
• XLogP: -2.64
• TPSA: 167.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	430.41
LogP ≤ 5	-2.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol?

The IUPAC name of (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol (CID 134839377) is (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol.

What is the SMILES notation for (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol?

The canonical SMILES for (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol is OCC1O[C@@H](O)C(O)C(O)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1O.

What is the InChIKey of (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol?

The InChIKey is FDSQLLVSEWZNNT-YBMKTCJLSA-N. The full InChI is InChI=1S/C19H26O11/c20-6-9-15(11(21)13(23)17(25)27-9)30-19-14(24)12(22)16-10(28-19)7-26-18(29-16)8-4-2-1-3-5-8/h1-5,9-25H,6-7H2/t9?,10?,11?,12?,13?,14?,15-,16-,17-,18?,19+/m1/s1.

What are the key properties of (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol?

(2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 430.41 g/mol, XLogP of -2.64, 4 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 134839377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).