[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol

C34H34O6 — CID 163797569

IUPAC[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1O[C@@H](OCc2ccccc2)C(OCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H34O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,34-35H,21-25H2/t30?,31-,34-/m1/s1
InChIKeyNCDLNKFXDSFJPU-NYMYOBHLSA-N
MW538.64 g/mol
LogP6.15
Rot. Bonds13

About [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol

[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 163797569) has the molecular formula C34H34O6 and a molecular weight of 538.64 g/mol. Its IUPAC name is [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID163797569
Molecular FormulaC34H34O6
Molecular Weight538.64 g/mol
Exact Mass538.24
IUPAC Name[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1O[C@@H](OCc2ccccc2)C(OCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H34O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,34-35H,21-25H2/t30?,31-,34-/m1/s1
InChIKeyNCDLNKFXDSFJPU-NYMYOBHLSA-N
XLogP6.15
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde;(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 88606195
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol (CID 163797569) is [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol is OCC1O[C@@H](OCc2ccccc2)C(OCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is NCDLNKFXDSFJPU-NYMYOBHLSA-N. The full InChI is InChI=1S/C34H34O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,34-35H,21-25H2/t30?,31-,34-/m1/s1.
What are the key properties of [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol?
[(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 538.64 g/mol, XLogP of 6.15, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 163797569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).