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

C37H43NO7 — CID 25135653

IUPAC(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESC[C@@H](O)CNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C37H43NO7/c1-28(39)22-38-37(41)36(45-26-32-20-12-5-13-21-32)35(44-25-31-18-10-4-11-19-31)34(43-24-30-16-8-3-9-17-30)33(40)27-42-23-29-14-6-2-7-15-29/h2-21,28,33-36,39-40H,22-27H2,1H3,(H,38,41)/t28-,33-,34-,35+,36-/m1/s1
InChIKeyWYPFAXNEOPQJQT-HKOHKURUSA-N
MW613.75 g/mol
LogP4.82
Rot. Bonds19

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

(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (PubChem CID 25135653) has the molecular formula C37H43NO7 and a molecular weight of 613.75 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
PubChem CID25135653
Molecular FormulaC37H43NO7
Molecular Weight613.75 g/mol
Exact Mass613.30
IUPAC Name(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESC[C@@H](O)CNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C37H43NO7/c1-28(39)22-38-37(41)36(45-26-32-20-12-5-13-21-32)35(44-25-31-18-10-4-11-19-31)34(43-24-30-16-8-3-9-17-30)33(40)27-42-23-29-14-6-2-7-15-29/h2-21,28,33-36,39-40H,22-27H2,1H3,(H,38,41)/t28-,33-,34-,35+,36-/m1/s1
InChIKeyWYPFAXNEOPQJQT-HKOHKURUSA-N
XLogP4.82
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.75
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide with MolForge

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Related Compounds

(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135652
(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
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
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
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(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,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (CID 25135653) is (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is C[C@@H](O)CNC(=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-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The InChIKey is WYPFAXNEOPQJQT-HKOHKURUSA-N. The full InChI is InChI=1S/C37H43NO7/c1-28(39)22-38-37(41)36(45-26-32-20-12-5-13-21-32)35(44-25-31-18-10-4-11-19-31)34(43-24-30-16-8-3-9-17-30)33(40)27-42-23-29-14-6-2-7-15-29/h2-21,28,33-36,39-40H,22-27H2,1H3,(H,38,41)/t28-,33-,34-,35+,36-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide has a molecular weight of 613.75 g/mol, XLogP of 4.82, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is sourced from PubChem (CID 25135653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).