(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol

C18H34O5 — CID 102454047

IUPAC(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H](O)CCC1=CO[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C18H34O5/c1-12(19)8-9-13-10-21-14(11-22-17(2,3)4)16(15(13)20)23-18(5,6)7/h10,12,14-16,19-20H,8-9,11H2,1-7H3/t12-,14-,15-,16-/m1/s1
InChIKeyOPRBWVDCSQPGPI-DTZQCDIJSA-N
MW330.47 g/mol
LogP2.79
Rot. Bonds6

About (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol

(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol (PubChem CID 102454047) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol
PubChem CID102454047
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H](O)CCC1=CO[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C18H34O5/c1-12(19)8-9-13-10-21-14(11-22-17(2,3)4)16(15(13)20)23-18(5,6)7/h10,12,14-16,19-20H,8-9,11H2,1-7H3/t12-,14-,15-,16-/m1/s1
InChIKeyOPRBWVDCSQPGPI-DTZQCDIJSA-N
XLogP2.79
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol (CID 102454047) is (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol is C[C@@H](O)CCC1=CO[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is OPRBWVDCSQPGPI-DTZQCDIJSA-N. The full InChI is InChI=1S/C18H34O5/c1-12(19)8-9-13-10-21-14(11-22-17(2,3)4)16(15(13)20)23-18(5,6)7/h10,12,14-16,19-20H,8-9,11H2,1-7H3/t12-,14-,15-,16-/m1/s1.
What are the key properties of (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol?
(2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 330.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[(3R)-3-hydroxybutyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 102454047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).