(6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C21H30O10 — CID 91240292

About (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

(6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 91240292) has the molecular formula C21H30O10 and a molecular weight of 442.46 g/mol. Its IUPAC name is (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

• Compound Name: (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• PubChem CID: 91240292
• Molecular Formula: C21H30O10
• Molecular Weight: 442.46 g/mol
• Exact Mass: 442.18
• IUPAC Name: (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• SMILES: Cc1ccc(C2OCC3O[C@H](O[C@@H]4C(CO)O[C@@H](C)C(O)[C@H]4O)C(O)[C@@H](O)[C@@H]3O2)cc1
• InChI: InChI=1S/C21H30O10/c1-9-3-5-11(6-4-9)20-27-8-13-19(30-20)16(25)17(26)21(29-13)31-18-12(7-22)28-10(2)14(23)15(18)24/h3-6,10,12-26H,7-8H2,1-2H3/t10-,12?,13?,14?,15+,16+,17?,18+,19+,20?,21+/m0/s1
• InChIKey: AZCDTGOPUZCTSF-HZPRTWHXSA-N
• XLogP: -1.26
• TPSA: 147.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.46
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The IUPAC name of (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 91240292) is (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

What is the SMILES notation for (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The canonical SMILES for (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is Cc1ccc(C2OCC3O[C@H](O[C@@H]4C(CO)O[C@@H](C)C(O)[C@H]4O)C(O)[C@@H](O)[C@@H]3O2)cc1.

What is the InChIKey of (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

The InChIKey is AZCDTGOPUZCTSF-HZPRTWHXSA-N. The full InChI is InChI=1S/C21H30O10/c1-9-3-5-11(6-4-9)20-27-8-13-19(30-20)16(25)17(26)21(29-13)31-18-12(7-22)28-10(2)14(23)15(18)24/h3-6,10,12-26H,7-8H2,1-2H3/t10-,12?,13?,14?,15+,16+,17?,18+,19+,20?,21+/m0/s1.

What are the key properties of (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?

(6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 442.46 g/mol, XLogP of -1.26, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R,8aS)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-2-(4-methylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 91240292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).