(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol

C16H24O6 — CID 10828905

IUPAC(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H24O6/c1-18-14-13(17)12(22-16(20-3)15(14)19-2)10-21-9-11-7-5-4-6-8-11/h4-8,12-17H,9-10H2,1-3H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyAPZUEGZIJXFXRZ-LYYZXLFJSA-N
MW312.36 g/mol
LogP0.97
Rot. Bonds7

About (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol

(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 10828905) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
PubChem CID10828905
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C16H24O6/c1-18-14-13(17)12(22-16(20-3)15(14)19-2)10-21-9-11-7-5-4-6-8-11/h4-8,12-17H,9-10H2,1-3H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyAPZUEGZIJXFXRZ-LYYZXLFJSA-N
XLogP0.97
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
[(2R,3R,4S,5R,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102271709
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol (CID 10828905) is (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol is CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is APZUEGZIJXFXRZ-LYYZXLFJSA-N. The full InChI is InChI=1S/C16H24O6/c1-18-14-13(17)12(22-16(20-3)15(14)19-2)10-21-9-11-7-5-4-6-8-11/h4-8,12-17H,9-10H2,1-3H3/t12-,13+,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 312.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 10828905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).