(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide

C32H44N2O10 — CID 503802

IUPAC(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
SMILESCC(O)[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](C(C)O)C2)CO1
InChIInChI=1S/C32H44N2O10/c1-19(35)25-13-23(17-41-25)33-31(39)29(43-15-21-9-5-3-6-10-21)27(37)28(38)30(44-16-22-11-7-4-8-12-22)32(40)34-24-14-26(20(2)36)42-18-24/h3-12,19-20,23-30,35-38H,13-18H2,1-2H3,(H,33,39)(H,34,40)/t19?,20?,23-,24?,25-,26-,27+,28+,29+,30+/m0/s1
InChIKeyAZJOISCPLJVXFA-UWCGTTMESA-N
MW616.71 g/mol
LogP0.19
Rot. Bonds15

About (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide

(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide (PubChem CID 503802) has the molecular formula C32H44N2O10 and a molecular weight of 616.71 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
PubChem CID503802
Molecular FormulaC32H44N2O10
Molecular Weight616.71 g/mol
Exact Mass616.30
IUPAC Name(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide
SMILESCC(O)[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](C(C)O)C2)CO1
InChIInChI=1S/C32H44N2O10/c1-19(35)25-13-23(17-41-25)33-31(39)29(43-15-21-9-5-3-6-10-21)27(37)28(38)30(44-16-22-11-7-4-8-12-22)32(40)34-24-14-26(20(2)36)42-18-24/h3-12,19-20,23-30,35-38H,13-18H2,1-2H3,(H,33,39)(H,34,40)/t19?,20?,23-,24?,25-,26-,27+,28+,29+,30+/m0/s1
InChIKeyAZJOISCPLJVXFA-UWCGTTMESA-N
XLogP0.19
TPSA176.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.71
LogP ≤ 50.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?
The IUPAC name of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide (CID 503802) is (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)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-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?
The canonical SMILES for (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide is CC(O)[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](C(C)O)C2)CO1.
What is the InChIKey of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?
The InChIKey is AZJOISCPLJVXFA-UWCGTTMESA-N. The full InChI is InChI=1S/C32H44N2O10/c1-19(35)25-13-23(17-41-25)33-31(39)29(43-15-21-9-5-3-6-10-21)27(37)28(38)30(44-16-22-11-7-4-8-12-22)32(40)34-24-14-26(20(2)36)42-18-24/h3-12,19-20,23-30,35-38H,13-18H2,1-2H3,(H,33,39)(H,34,40)/t19?,20?,23-,24?,25-,26-,27+,28+,29+,30+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide?
(2R,3R,4R,5R)-3,4-dihydroxy-N-[(3S,5S)-5-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide has a molecular weight of 616.71 g/mol, XLogP of 0.19, 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-(1-hydroxyethyl)oxolan-3-yl]-N'-[(5S)-5-(1-hydroxyethyl)oxolan-3-yl]-2,5-bis(phenylmethoxy)hexanediamide is sourced from PubChem (CID 503802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).