[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol

C28H30O6 — CID 102472874

IUPAC[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol
SMILESOC[C@@]12OC[C@@H](O1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]2OCc1ccccc1
InChIInChI=1S/C28H30O6/c29-20-28-27(32-18-23-14-8-3-9-15-23)26(31-17-22-12-6-2-7-13-22)25(24(34-28)19-33-28)30-16-21-10-4-1-5-11-21/h1-15,24-27,29H,16-20H2/t24-,25-,26+,27+,28-/m1/s1
InChIKeyVIJQWUDQWUDSJE-URYJJRPLSA-N
MW462.54 g/mol
LogP3.86
Rot. Bonds10

About [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol

[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol (PubChem CID 102472874) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol
PubChem CID102472874
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol
SMILESOC[C@@]12OC[C@@H](O1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]2OCc1ccccc1
InChIInChI=1S/C28H30O6/c29-20-28-27(32-18-23-14-8-3-9-15-23)26(31-17-22-12-6-2-7-13-22)25(24(34-28)19-33-28)30-16-21-10-4-1-5-11-21/h1-15,24-27,29H,16-20H2/t24-,25-,26+,27+,28-/m1/s1
InChIKeyVIJQWUDQWUDSJE-URYJJRPLSA-N
XLogP3.86
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol with MolForge

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Related Compounds

(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 102374432
(1S,4S,5R,6S)-1-methyl-5,6-bis(phenylmethoxy)-2,7-dioxabicyclo[2.2.1]heptane
CID 11370807
[(1R,4S)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 140600133
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(1S,5R,6S,7R,8S)-1-ethenyl-6,7,8-tris(phenylmethoxy)-3,9-dioxabicyclo[3.3.1]nonane
CID 135011626
(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 10886007
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,3S,4S,5R,6R,19R,20S,21S,22R)-4,5,20,21,22-pentakis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,8,11,14,17,23,24-heptaoxatricyclo[17.3.1.13,6]tetracosane
CID 177408052
[(1S,2S,3S,4S)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methanol
CID 174043893
(8S,8aR)-2,2-dimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 66677124
(1R,2S,4R)-5-(2-fluoroethyl)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384741
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The IUPAC name of [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol (CID 102472874) is [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol.
What is the SMILES notation for [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The canonical SMILES for [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol is OC[C@@]12OC[C@@H](O1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]2OCc1ccccc1.
What is the InChIKey of [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The InChIKey is VIJQWUDQWUDSJE-URYJJRPLSA-N. The full InChI is InChI=1S/C28H30O6/c29-20-28-27(32-18-23-14-8-3-9-15-23)26(31-17-22-12-6-2-7-13-22)25(24(34-28)19-33-28)30-16-21-10-4-1-5-11-21/h1-15,24-27,29H,16-20H2/t24-,25-,26+,27+,28-/m1/s1.
What are the key properties of [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol?
[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol has a molecular weight of 462.54 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol is sourced from PubChem (CID 102472874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).