(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol

C17H24O5 — CID 170851181

IUPAC(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1OC(OC)[C@@H](OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C17H24O5/c1-4-13(18)16-14(19-2)10-15(17(20-3)22-16)21-11-12-8-6-5-7-9-12/h4-9,13-18H,1,10-11H2,2-3H3/t13-,14-,15+,16+,17?/m1/s1
InChIKeyUVJYXUWUVBEINV-ILUDGRTOSA-N
MW308.37 g/mol
LogP1.90
Rot. Bonds7

About (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol

(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol (PubChem CID 170851181) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
PubChem CID170851181
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1OC(OC)[C@@H](OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C17H24O5/c1-4-13(18)16-14(19-2)10-15(17(20-3)22-16)21-11-12-8-6-5-7-9-12/h4-9,13-18H,1,10-11H2,2-3H3/t13-,14-,15+,16+,17?/m1/s1
InChIKeyUVJYXUWUVBEINV-ILUDGRTOSA-N
XLogP1.90
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol (CID 170851181) is (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@@H]1OC(OC)[C@@H](OCc2ccccc2)C[C@H]1OC.
What is the InChIKey of (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol?
The InChIKey is UVJYXUWUVBEINV-ILUDGRTOSA-N. The full InChI is InChI=1S/C17H24O5/c1-4-13(18)16-14(19-2)10-15(17(20-3)22-16)21-11-12-8-6-5-7-9-12/h4-9,13-18H,1,10-11H2,2-3H3/t13-,14-,15+,16+,17?/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol?
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol has a molecular weight of 308.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 170851181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).