(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol

C29H34O6 — CID 140967669

IUPAC(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol
SMILESCC[C@]1([C@H](O)CO)OC(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C29H34O6/c1-2-26(25(31)21-30)27(32,18-22-12-6-3-7-13-22)28(33,19-23-14-8-4-9-15-23)29(34,35-26)20-24-16-10-5-11-17-24/h3-17,25,30-34H,2,18-21H2,1H3/t25-,26-,27+,28-,29?/m1/s1
InChIKeyJNPQZZTXOVYMJN-XSXASNHFSA-N
MW478.59 g/mol
LogP2.40
Rot. Bonds9

About (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol

(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol (PubChem CID 140967669) has the molecular formula C29H34O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol
PubChem CID140967669
Molecular FormulaC29H34O6
Molecular Weight478.59 g/mol
Exact Mass478.24
IUPAC Name(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol
SMILESCC[C@]1([C@H](O)CO)OC(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C29H34O6/c1-2-26(25(31)21-30)27(32,18-22-12-6-3-7-13-22)28(33,19-23-14-8-4-9-15-23)29(34,35-26)20-24-16-10-5-11-17-24/h3-17,25,30-34H,2,18-21H2,1H3/t25-,26-,27+,28-,29?/m1/s1
InChIKeyJNPQZZTXOVYMJN-XSXASNHFSA-N
XLogP2.40
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol?
The IUPAC name of (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol (CID 140967669) is (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol.
What is the SMILES notation for (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol?
The canonical SMILES for (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol is CC[C@]1([C@H](O)CO)OC(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1.
What is the InChIKey of (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol?
The InChIKey is JNPQZZTXOVYMJN-XSXASNHFSA-N. The full InChI is InChI=1S/C29H34O6/c1-2-26(25(31)21-30)27(32,18-22-12-6-3-7-13-22)28(33,19-23-14-8-4-9-15-23)29(34,35-26)20-24-16-10-5-11-17-24/h3-17,25,30-34H,2,18-21H2,1H3/t25-,26-,27+,28-,29?/m1/s1.
What are the key properties of (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol?
(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol has a molecular weight of 478.59 g/mol, XLogP of 2.40, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol is sourced from PubChem (CID 140967669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).