(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid

C22H24O5 — CID 10832829

IUPAC(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)OC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H24O5/c1-2-13-22(21(23)24)20(26-15-18-11-7-4-8-12-18)19(16-27-22)25-14-17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2,(H,23,24)/t19-,20+,22-/m1/s1
InChIKeyQGRDWDMTUYIOPJ-RZUBCFFCSA-N
MW368.43 g/mol
LogP3.59
Rot. Bonds9

About (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid

(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid (PubChem CID 10832829) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid
PubChem CID10832829
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)OC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H24O5/c1-2-13-22(21(23)24)20(26-15-18-11-7-4-8-12-18)19(16-27-22)25-14-17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2,(H,23,24)/t19-,20+,22-/m1/s1
InChIKeyQGRDWDMTUYIOPJ-RZUBCFFCSA-N
XLogP3.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid 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

(3R,4S,5S)-3,4-bis(phenylmethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
CID 10736828
[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl] acetate
CID 23656418
(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 122386595
(3R,4S,5R)-2-bromo-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 54179875
methyl (2S)-2-hydroxy-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 59531307
methyl (2S)-2-hydroxy-2-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 146028647
methyl (2S)-2-hydroxy-2-[(2S,4S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 91158984
[(3S,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] prop-2-enoate
CID 11077127
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
2-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]ethaneperoxoic acid
CID 87530760
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
1-[(2R,3S,4S)-2-ethenyl-3,4-bis(phenylmethoxy)pyrrolidin-1-yl]but-3-en-1-one
CID 11731595

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid?
The IUPAC name of (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid (CID 10832829) is (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid is C=CC[C@@]1(C(=O)O)OC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid?
The InChIKey is QGRDWDMTUYIOPJ-RZUBCFFCSA-N. The full InChI is InChI=1S/C22H24O5/c1-2-13-22(21(23)24)20(26-15-18-11-7-4-8-12-18)19(16-27-22)25-14-17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2,(H,23,24)/t19-,20+,22-/m1/s1.
What are the key properties of (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid?
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolane-2-carboxylic acid is sourced from PubChem (CID 10832829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).