(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol

C16H22O6 — CID 10804871

IUPAC(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol
SMILESCOC1[C@H]2OC(c3ccccc3)O[C@@H]1[C@@H](OC)C(O)[C@@H]2OC
InChIInChI=1S/C16H22O6/c1-18-11-10(17)12(19-2)15-13(20-3)14(11)21-16(22-15)9-7-5-4-6-8-9/h4-8,10-17H,1-3H3/t10?,11-,12-,13?,14-,15+,16?/m0/s1
InChIKeyNHJNXXAZDJNBEG-OWRBIWPUSA-N
MW310.35 g/mol
LogP0.89
Rot. Bonds4

About (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol

(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol (PubChem CID 10804871) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol
PubChem CID10804871
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol
SMILESCOC1[C@H]2OC(c3ccccc3)O[C@@H]1[C@@H](OC)C(O)[C@@H]2OC
InChIInChI=1S/C16H22O6/c1-18-11-10(17)12(19-2)15-13(20-3)14(11)21-16(22-15)9-7-5-4-6-8-9/h4-8,10-17H,1-3H3/t10?,11-,12-,13?,14-,15+,16?/m0/s1
InChIKeyNHJNXXAZDJNBEG-OWRBIWPUSA-N
XLogP0.89
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

(4aR,6R,7R,8S,8aR)-7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 67603919
(2R,4aR,6S,7R,8R,8aR)-8-methoxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101107751
(2R,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 906007
(2S,4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 86316912
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10468969
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 643246
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 102504528
(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 59932091
(2S,4aS,6R,7S,8S,8aR)-8-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 97042179
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101203467
[(3aS,4S,6R,6aS)-4-methoxy-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 166446661
(2S,4aR,6R,7S,8R,8aR)-7-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124762101

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol (CID 10804871) is (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol is COC1[C@H]2OC(c3ccccc3)O[C@@H]1[C@@H](OC)C(O)[C@@H]2OC.
What is the InChIKey of (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol?
The InChIKey is NHJNXXAZDJNBEG-OWRBIWPUSA-N. The full InChI is InChI=1S/C16H22O6/c1-18-11-10(17)12(19-2)15-13(20-3)14(11)21-16(22-15)9-7-5-4-6-8-9/h4-8,10-17H,1-3H3/t10?,11-,12-,13?,14-,15+,16?/m0/s1.
What are the key properties of (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol?
(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol has a molecular weight of 310.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 10804871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).