(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide

C34H48N2O10 — CID 503801

IUPAC(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide
SMILESCCOC[C@@H]1CC(NC(=O)[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N[C@@H]2CO[C@H](COCC)C2)CO1
InChIInChI=1S/C34H48N2O10/c1-3-41-21-27-15-25(19-43-27)35-33(39)31(45-17-23-11-7-5-8-12-23)29(37)30(38)32(46-18-24-13-9-6-10-14-24)34(40)36-26-16-28(44-20-26)22-42-4-2/h5-14,25-32,37-38H,3-4,15-22H2,1-2H3,(H,35,39)(H,36,40)/t25-,26?,27-,28-,29+,30+,31+,32+/m0/s1
InChIKeyKMCWZHPLLICHPE-OLMABHHBSA-N
MW644.76 g/mol
LogP1.50
Rot. Bonds19

About (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide

(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide (PubChem CID 503801) has the molecular formula C34H48N2O10 and a molecular weight of 644.76 g/mol. Its IUPAC name is (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide.

Molecular Properties

Compound Name(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide
PubChem CID503801
Molecular FormulaC34H48N2O10
Molecular Weight644.76 g/mol
Exact Mass644.33
IUPAC Name(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide
SMILESCCOC[C@@H]1CC(NC(=O)[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N[C@@H]2CO[C@H](COCC)C2)CO1
InChIInChI=1S/C34H48N2O10/c1-3-41-21-27-15-25(19-43-27)35-33(39)31(45-17-23-11-7-5-8-12-23)29(37)30(38)32(46-18-24-13-9-6-10-14-24)34(40)36-26-16-28(44-20-26)22-42-4-2/h5-14,25-32,37-38H,3-4,15-22H2,1-2H3,(H,35,39)(H,36,40)/t25-,26?,27-,28-,29+,30+,31+,32+/m0/s1
InChIKeyKMCWZHPLLICHPE-OLMABHHBSA-N
XLogP1.50
TPSA154.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.76
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The IUPAC name of (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide (CID 503801) is (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide.
What is the SMILES notation for (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The canonical SMILES for (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide is CCOC[C@@H]1CC(NC(=O)[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N[C@@H]2CO[C@H](COCC)C2)CO1.
What is the InChIKey of (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The InChIKey is KMCWZHPLLICHPE-OLMABHHBSA-N. The full InChI is InChI=1S/C34H48N2O10/c1-3-41-21-27-15-25(19-43-27)35-33(39)31(45-17-23-11-7-5-8-12-23)29(37)30(38)32(46-18-24-13-9-6-10-14-24)34(40)36-26-16-28(44-20-26)22-42-4-2/h5-14,25-32,37-38H,3-4,15-22H2,1-2H3,(H,35,39)(H,36,40)/t25-,26?,27-,28-,29+,30+,31+,32+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide?
(2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide has a molecular weight of 644.76 g/mol, XLogP of 1.50, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-N-[(3S,5S)-5-(ethoxymethyl)oxolan-3-yl]-N'-[(5S)-5-(ethoxymethyl)oxolan-3-yl]-3,4-dihydroxy-2,5-bis(phenylmethoxy)hexanediamide is sourced from PubChem (CID 503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).