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

C30H40N2O10 — CID 503798

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

(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide (PubChem CID 503798) has the molecular formula C30H40N2O10 and a molecular weight of 588.65 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
• PubChem CID: 503798
• Molecular Formula: C30H40N2O10
• Molecular Weight: 588.65 g/mol
• Exact Mass: 588.27
• IUPAC Name: (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
• SMILES: O=C(NC1CO[C@H](CO)C1)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CO[C@H](CO)C1
• InChI: InChI=1S/C30H40N2O10/c33-13-23-11-21(17-39-23)31-29(37)27(41-15-19-7-3-1-4-8-19)25(35)26(36)28(42-16-20-9-5-2-6-10-20)30(38)32-22-12-24(14-34)40-18-22/h1-10,21-28,33-36H,11-18H2,(H,31,37)(H,32,38)/t21-,22?,23-,24-,25+,26+,27+,28+/m0/s1
• InChIKey: VNTJVUVJPTZEKO-DLYITBFFSA-N
• XLogP: -0.59
• TPSA: 176.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.65
LogP ≤ 5	-0.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?

The IUPAC name of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide (CID 503798) is (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide.

What is the SMILES notation for (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?

The canonical SMILES for (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide is O=C(NC1CO[C@H](CO)C1)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CO[C@H](CO)C1.

What is the InChIKey of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?

The InChIKey is VNTJVUVJPTZEKO-DLYITBFFSA-N. The full InChI is InChI=1S/C30H40N2O10/c33-13-23-11-21(17-39-23)31-29(37)27(41-15-19-7-3-1-4-8-19)25(35)26(36)28(42-16-20-9-5-2-6-10-20)30(38)32-22-12-24(14-34)40-18-22/h1-10,21-28,33-36H,11-18H2,(H,31,37)(H,32,38)/t21-,22?,23-,24-,25+,26+,27+,28+/m0/s1.

What are the key properties of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?

(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide has a molecular weight of 588.65 g/mol, XLogP of -0.59, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-N'-[(5S)-5-(hydroxymethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide is sourced from PubChem (CID 503798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).