(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

C34H37NO6 — CID 11146089

IUPAC(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H37NO6/c35-34(37)33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(36)25-38-21-26-13-5-1-6-14-26/h1-20,30-33,36H,21-25H2,(H2,35,37)/t30-,31-,32+,33-/m1/s1
InChIKeyQSTAZHHZHIPWRR-NXVJRICRSA-N
MW555.67 g/mol
LogP4.81
Rot. Bonds17

About (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (PubChem CID 11146089) has the molecular formula C34H37NO6 and a molecular weight of 555.67 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
PubChem CID11146089
Molecular FormulaC34H37NO6
Molecular Weight555.67 g/mol
Exact Mass555.26
IUPAC Name(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C34H37NO6/c35-34(37)33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(36)25-38-21-26-13-5-1-6-14-26/h1-20,30-33,36H,21-25H2,(H2,35,37)/t30-,31-,32+,33-/m1/s1
InChIKeyQSTAZHHZHIPWRR-NXVJRICRSA-N
XLogP4.81
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.67
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (CID 11146089) is (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is NC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The InChIKey is QSTAZHHZHIPWRR-NXVJRICRSA-N. The full InChI is InChI=1S/C34H37NO6/c35-34(37)33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(36)25-38-21-26-13-5-1-6-14-26/h1-20,30-33,36H,21-25H2,(H2,35,37)/t30-,31-,32+,33-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
(2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide has a molecular weight of 555.67 g/mol, XLogP of 4.81, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is sourced from PubChem (CID 11146089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).