(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

C28H30O5 — CID 11224624

IUPAC(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H30O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-17,25,27-28H,18-21H2,1H3/t25-,27-,28+/m0/s1
InChIKeyXGJNKEJWPUYLSS-RZDMPUFOSA-N
MW446.54 g/mol
LogP5.26
Rot. Bonds11

About (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 11224624) has the molecular formula C28H30O5 and a molecular weight of 446.54 g/mol. Its IUPAC name is (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID11224624
Molecular FormulaC28H30O5
Molecular Weight446.54 g/mol
Exact Mass446.21
IUPAC Name(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H30O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-17,25,27-28H,18-21H2,1H3/t25-,27-,28+/m0/s1
InChIKeyXGJNKEJWPUYLSS-RZDMPUFOSA-N
XLogP5.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 154734225
(2S,5R)-2-methoxy-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 134832463
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (CID 11224624) is (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is CO[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is XGJNKEJWPUYLSS-RZDMPUFOSA-N. The full InChI is InChI=1S/C28H30O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-17,25,27-28H,18-21H2,1H3/t25-,27-,28+/m0/s1.
What are the key properties of (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 446.54 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11224624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).