(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol

C14H20O7 — CID 171126723

IUPAC(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
SMILESCOc1ccc(CO[C@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H](O)CO)cc1
InChIInChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-13-11(17)14(18)21-12(13)10(16)6-15/h2-5,10-18H,6-7H2,1H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyYBGLRBOJSFJKJM-XGFWRYKXSA-N
MW300.31 g/mol
LogP-0.99
Rot. Bonds6

About (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol

(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol (PubChem CID 171126723) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
PubChem CID171126723
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
SMILESCOc1ccc(CO[C@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H](O)CO)cc1
InChIInChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-13-11(17)14(18)21-12(13)10(16)6-15/h2-5,10-18H,6-7H2,1H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyYBGLRBOJSFJKJM-XGFWRYKXSA-N
XLogP-0.99
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol?
The IUPAC name of (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol (CID 171126723) is (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol.
What is the SMILES notation for (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol?
The canonical SMILES for (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol is COc1ccc(CO[C@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol?
The InChIKey is YBGLRBOJSFJKJM-XGFWRYKXSA-N. The full InChI is InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-13-11(17)14(18)21-12(13)10(16)6-15/h2-5,10-18H,6-7H2,1H3/t10-,11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol?
(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol has a molecular weight of 300.31 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol is sourced from PubChem (CID 171126723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).