(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane

C23H28O4 — CID 166519075

IUPAC(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
SMILESC=CC[C@H]1[C@@H](OC)O[C@H](COCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H28O4/c1-3-10-20-22(26-16-19-13-8-5-9-14-19)21(27-23(20)24-2)17-25-15-18-11-6-4-7-12-18/h3-9,11-14,20-23H,1,10,15-17H2,2H3/t20-,21-,22-,23+/m1/s1
InChIKeyURWHAKDEMXTMMS-ODAXIHTASA-N
MW368.47 g/mol
LogP4.35
Rot. Bonds10

About (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane

(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane (PubChem CID 166519075) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
PubChem CID166519075
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
SMILESC=CC[C@H]1[C@@H](OC)O[C@H](COCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H28O4/c1-3-10-20-22(26-16-19-13-8-5-9-14-19)21(27-23(20)24-2)17-25-15-18-11-6-4-7-12-18/h3-9,11-14,20-23H,1,10,15-17H2,2H3/t20-,21-,22-,23+/m1/s1
InChIKeyURWHAKDEMXTMMS-ODAXIHTASA-N
XLogP4.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(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,3R,4S,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxan-4-ol
CID 100923922
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(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
(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 (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane?
The IUPAC name of (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane (CID 166519075) is (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane.
What is the SMILES notation for (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane?
The canonical SMILES for (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane is C=CC[C@H]1[C@@H](OC)O[C@H](COCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane?
The InChIKey is URWHAKDEMXTMMS-ODAXIHTASA-N. The full InChI is InChI=1S/C23H28O4/c1-3-10-20-22(26-16-19-13-8-5-9-14-19)21(27-23(20)24-2)17-25-15-18-11-6-4-7-12-18/h3-9,11-14,20-23H,1,10,15-17H2,2H3/t20-,21-,22-,23+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane?
(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane has a molecular weight of 368.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane is sourced from PubChem (CID 166519075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).