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

C36H41NO7 — CID 25135652

IUPAC(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESO=C(NCCO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C36H41NO7/c38-22-21-37-36(40)35(44-26-31-19-11-4-12-20-31)34(43-25-30-17-9-3-10-18-30)33(42-24-29-15-7-2-8-16-29)32(39)27-41-23-28-13-5-1-6-14-28/h1-20,32-35,38-39H,21-27H2,(H,37,40)/t32-,33+,34+,35-/m1/s1
InChIKeyGUEYDWUZRGNGJD-HDBFZYDSSA-N
MW599.72 g/mol
LogP4.43
Rot. Bonds19

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

(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (PubChem CID 25135652) has the molecular formula C36H41NO7 and a molecular weight of 599.72 g/mol. Its IUPAC name is (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
PubChem CID25135652
Molecular FormulaC36H41NO7
Molecular Weight599.72 g/mol
Exact Mass599.29
IUPAC Name(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESO=C(NCCO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C36H41NO7/c38-22-21-37-36(40)35(44-26-31-19-11-4-12-20-31)34(43-25-30-17-9-3-10-18-30)33(42-24-29-15-7-2-8-16-29)32(39)27-41-23-28-13-5-1-6-14-28/h1-20,32-35,38-39H,21-27H2,(H,37,40)/t32-,33+,34+,35-/m1/s1
InChIKeyGUEYDWUZRGNGJD-HDBFZYDSSA-N
XLogP4.43
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.72
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135653
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135765
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
methyl (4R,5R,6S,7R)-7-hydroxy-4-nitro-5,6,8-tris(phenylmethoxy)octanoate
CID 132559185
methyl (E,4S,5R,6R)-4,6-dihydroxy-5,7-bis(phenylmethoxy)hept-2-enoate
CID 11417789
(2E,3R,4R,5R)-2-(butylaminomethylidene)-5-hydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 102492233
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The IUPAC name of (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (CID 25135652) is (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.
What is the SMILES notation for (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The canonical SMILES for (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is O=C(NCCO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The InChIKey is GUEYDWUZRGNGJD-HDBFZYDSSA-N. The full InChI is InChI=1S/C36H41NO7/c38-22-21-37-36(40)35(44-26-31-19-11-4-12-20-31)34(43-25-30-17-9-3-10-18-30)33(42-24-29-15-7-2-8-16-29)32(39)27-41-23-28-13-5-1-6-14-28/h1-20,32-35,38-39H,21-27H2,(H,37,40)/t32-,33+,34+,35-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide has a molecular weight of 599.72 g/mol, XLogP of 4.43, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is sourced from PubChem (CID 25135652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).