(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol

C21H26O6 — CID 11100814

IUPAC(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-13-16-10-6-3-7-11-16)19(23)18(22)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21-/m1/s1
InChIKeyHHNWKVMGSBHJLO-XDWAVFMPSA-N
MW374.43 g/mol
LogP1.88
Rot. Bonds8

About (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol

(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol (PubChem CID 11100814) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
PubChem CID11100814
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-13-16-10-6-3-7-11-16)19(23)18(22)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21-/m1/s1
InChIKeyHHNWKVMGSBHJLO-XDWAVFMPSA-N
XLogP1.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol (CID 11100814) is (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol is CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The InChIKey is HHNWKVMGSBHJLO-XDWAVFMPSA-N. The full InChI is InChI=1S/C21H26O6/c1-24-21-20(26-13-16-10-6-3-7-11-16)19(23)18(22)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18+,19+,20-,21-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
(2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol has a molecular weight of 374.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 11100814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).